Vitas-M small molecule compound

{[(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl]oxy}acetic acid

Catalog ID
STL564327
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(OCC(=O)O)cc(c(c2c(c3C)O)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C39H49NO14 MW 755.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-
InChIKey
SQTCRTQCPJICLD-KTQDUKAHSA-N
Synonyms
13929-35-6
(((2S12Z14E16S17S18R19R20R21S22R23S24E)21(acetyloxy)561719tetrahydroxy23methoxy241216182022heptamethyl111dioxo12dihydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan9yl)oxy)aceticacid
13929356
2(((7S9E11S12R13S14R15R16R17S18S19E21Z)13acetyloxy2151729tetrahydroxy11methoxy371214161822heptamethyl623dioxo830dioxa24azatetracyclo(23311470528)triaconta1(29)24919212527octaen27yl)oxy)aceticacid
2(ACETOXYTETRAHYDROXYMETHOXYHEPTAMETHYLDIOXO()YL)OXYACETICACID
4O(CARBOXYMETHYL)RIFAMYCIN
5459948
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2c(OCC(=O)O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@H)((C@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C
InChI=1SC39H49NO14c11711101218(2)38(49)40241526(511627(42)43)2829(34(24)47)33(46)22(6)3630(28)37(48)39(85436)52141325(509)19(3)35(5323(7)41)21(5)32(45)20(4)31(17)44h1015171921253132354447H16H219H3(H4049)(H4243)b1110+1413+1812t1719+20+21+253132+35+39m
MFCD00135928
NACIMYCIN
NANCIMYCIN
O(21B)FURAN9YL)OXY)ACETICACID
RIFAMYCIN4O(CARBOXYMETHYL)
RIFAMYCINB
RIFOMYCINB(6CI)
ZINC000254488945

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Available files

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