Vitas-M small molecule compound
(16E)-16-[4-(difluoromethoxy)-3-methoxybenzylidene]androstan-17-one
Catalog ID
STL181734
SMILES COc1cc(ccc1OC(F)F)/C=C/1\CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCCC2
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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 C28H36F2O3 MW 458.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36F2O3/c1-27-12-5-4-6-19(27)8-9-20-21(27)11-13-28(2)22(20)16-18(25(28)31)14-17-7-10-23(33-26(29)30)24(15-17)32-3/h7,10,14-15,19-22,26H,4-6,8-9,11-13,16H2,1-3H3/b18-14+InChIKey
UYITYRCVDQMGBD-NBVRZTHBSA-NSynonyms
(16E)16((4(difluoromethoxy)3methoxyphenyl)methylidene)1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
(16E)16(4(difluoromethoxy)3methoxybenzylidene)androstan17one
CC12CCCCC1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC(F)F)OC)C4=O)C
COc1cc(ccc1OC(F)F)C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCCC2
InChI=1SC28H36F2O3c1271254619(27)892021(27)111328(2)22(20)1618(25(28)31)141771023(3326(29)30)24(1517)323h7101415192226H4689111316H213H3b1814+
MFCD20760108
ZINC000253531311
ZINC000253531314
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