Vitas-M small molecule compound
(16E)-3-methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-ol
Catalog ID
STL173410
SMILES COc1ccc(cc1)/C=C/1\CC2C(C1O)(C)CCC1C2CCc2c1ccc(c2)OC
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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 C27H32O3 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32O3/c1-27-13-12-23-22-11-9-21(30-3)15-18(22)6-10-24(23)25(27)16-19(26(27)28)14-17-4-7-20(29-2)8-5-17/h4-5,7-9,11,14-15,23-26,28H,6,10,12-13,16H2,1-3H3/b19-14+InChIKey
YMJKZILDEATXRU-XMHGGMMESA-NSynonyms
(16E)3methoxy16((4methoxyphenyl)methylidene)13methyl7891112141517octahydro6Hcyclopenta(a)phenanthren17ol
(16E)3methoxy16(4methoxybenzylidene)estra1(10)24trien17ol
CC12CCC3C(C1CC(=CC4=CC=C(C=C4)OC)C2O)CCC5=C3C=CC(=C5)OC
COc1ccc(cc1)C=C1CC2C(C1O)(C)CCC1C2CCc2c1ccc(c2)OC
InChI=1SC27H32O3c1271312232211921(303)1518(22)61024(23)25(27)1619(26(27)28)14174720(292)8517h4579111415232628H610121316H213H3b1914+
MFCD06196955
ZINC000226403447
ZINC000247984327
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