Vitas-M small molecule compound
(4aR,6aS)-6b-acetyl-4a,6a,13-trimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-one
Catalog ID
STL525845
SMILES O=C1CC[C@]2(C(=C1)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)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 C26H38O2 MW 382.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38O2/c1-16-13-20-21(24(3)11-8-19(28)15-22(16)24)9-12-25(4)23(20)14-18-7-5-6-10-26(18,25)17(2)27/h15-16,18,20-21,23H,5-14H2,1-4H3/t16?,18?,20?,21?,23?,24-,25+,26?/m1/s1InChIKey
OAICPORQJIVREU-IXEOENGBSA-NSynonyms
(4~(a)~(R)6~(a)~(S))6~(b)acetyl4~(a)6~(a)13trimethyl44~(b)567891010~(a)1111~(a)11~(b)1213tetradecahydro3~(H)indeno(21a)phenanthren2one
(4aR6aS)6bacetyl4a6a13trimethyl344a4b566a6b7891010a1111a11b1213octadecahydro2Hindeno(21a)phenanthren2one
(6aR8aS13bR)8bacetyl26a8atrimethyl566a6b788a8b910111212a1313a13bhexadecahydro1Hindeno(21a)phenanthren4(2H)one
135639095
InChI=1SC26H38O2c116132021(24(3)11819(28)1522(16)24)91225(4)23(20)14187561026(1825)17(2)27h151618202123H514H214H3t16?18?20?21?23?2425+26?m1s1
MFCD00295953
O=C1CC(C@)2(C(=C1)C(C)C(C@@H)1C2CC(C@)2(C1CC1C2(CCCC1)C(=O)C)C)C
ZINC000004082090
ZINC000004082095
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