Vitas-M small molecule compound
(2R,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-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-21-yl acetate
Catalog ID
STK801967
SMILES CO[C@H]1/C=C/O[C@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(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 C38H47NO13 MW 725.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,InChIKey
BBNQHOMJRFAQBN-VBYYLGPJSA-NSynonyms
(2R12Z14E16S17S18R19R20R21S22R23S24E)8formyl5691719pentahydroxy23methoxy241216182022heptamethyl111dioxo12dihydro27(epoxypentadeca(11113)trienoimino)naphtho(21
B)FURAN21YLACETATE
CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2C=O)O)O)C
CO(C@H)1C=CO(C@)2(C)Oc3c(C2=O)c2c(O)c(C=O)c(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=1SC38H47NO13c11611101217(2)37(48)392823(1540)32(45)2526(33(28)46)31(44)21(6)3527(25)36(47)38(85235)50141324(499)18(3)34(5122(7)41)20(5)30(43)19(4)29(16)42h10161820242930344246H19H3(H3948)b1110+1413+1712t1618+19+20+242930+34+38+m0s1
MFCD03840550
ZINC000169712937
ZINC000254286948
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