Vitas-M small molecule compound
(16E)-16-(1,3-benzodioxol-5-ylmethylidene)-3-methoxyestra-1(10),2,4-trien-17-ol
Catalog ID
STL174603
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1ccc3c(c1)OCO3)/C2O)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 C27H30O4 MW 418.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30O4/c1-27-10-9-21-20-7-5-19(29-2)13-17(20)4-6-22(21)23(27)14-18(26(27)28)11-16-3-8-24-25(12-16)31-15-30-24/h3,5,7-8,11-13,21-23,26,28H,4,6,9-10,14-15H2,1-2H3/b18-11+InChIKey
JFDHIMAJTWDPBB-WOJGMQOQSA-NSynonyms
(16E)16(13benzodioxol5ylmethylidene)3methoxy13methyl7891112141517octahydro6Hcyclopenta(a)phenanthren17ol
(16E)16(13benzodioxol5ylmethylidene)3methoxyestra1(10)24trien17ol
CC12CCC3C(C1CC(=CC4=CC5=C(C=C4)OCO5)C2O)CCC6=C3C=CC(=C6)OC
COc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1ccc3c(c1)OCO3)C2O)C
InChI=1SC27H30O4c12710921207519(292)1317(20)4622(21)23(27)1418(26(27)28)1116382425(1216)31153024h3578111321232628H469101415H212H3b1811+
MFCD20760016
ZINC000230138217
ZINC000247943034
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