Vitas-M small molecule compound

(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5,21-diyl diacetate

Catalog ID
STL558196
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C)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 C39H47NO13 MW 737.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H47NO13/c1-17-12-11-13-18(2)38(48)40-25-16-26(43)28-29(33(25)46)35(52-24(8)42)22(6)36-30(28)37(47)39(9,53-36)50-15-14-27(49-10)19(3)34(51-23(7)41)21(5)32(45)20(4)31(17)44/h11-17,19-21,27,31-32,34,44-45H,1-10H3,(H,40,48)/b12-11-,15-14-,18-13-/t
InChIKey
JCBLMOFMLCIDKU-JALNQFTHSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))2acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen13yl)acetate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan521diyldiacetate
(7S9E11S12R13S14S15S16R17S18S19E21Z)13(acetyloxy)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2ylacetate
43915193
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C)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=1SC39H47NO13c11712111318(2)38(48)40251626(43)2829(33(25)46)35(5224(8)42)22(6)3630(28)37(47)39(95336)50151427(4910)19(3)34(5123(7)41)21(5)32(45)20(4)31(17)44h11171921273132344445H110H3(H4048)b121115141813t1719+20+2127313234+39m0s1
RAN521DIYLDIACETATE
ZINC000254527805

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Available files

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