Vitas-M small molecule compound
(16E)-16-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]androstane-3,17-diol
Catalog ID
STK694353
SMILES COc1cc(/C=C/2\CC3C(C2O)(C)CCC2C3CCC3C2(C)CCC(C3)O)cc2c1OCO2
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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 C28H38O5 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38O5/c1-27-8-6-19(29)14-18(27)4-5-20-21(27)7-9-28(2)22(20)13-17(26(28)30)10-16-11-23(31-3)25-24(12-16)32-15-33-25/h10-12,18-22,26,29-30H,4-9,13-15H2,1-3H3/b17-10+InChIKey
OENMPHULXSOBTB-LICLKQGHSA-NSynonyms
(16E)16((7methoxy13benzodioxol5yl)methylidene)1013dimethyl1234567891112141517tetradecahydrocyclopenta(a)phenanthrene317diol
(16E)16((7methoxy13benzodioxol5yl)methylidene)androstane317diol
CC12CCC(CC1CCC3C2CCC4(C3CC(=CC5=CC6=C(C(=C5)OC)OCO6)C4O)C)O
COc1cc(C=C2CC3C(C2O)(C)CCC2C3CCC3C2(C)CCC(C3)O)cc2c1OCO2
InChI=1SC28H38O5c1278619(29)1418(27)452021(27)7928(2)22(20)1317(26(28)30)10161123(313)2524(1216)32153325h10121822262930H491315H213H3b1710+
MFCD12034599
ZINC000253528720
ZINC000253528729
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