Vitas-M small molecule compound
S-(10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) 2-chlorobutanethioate (non-preferred name)
Catalog ID
STL553700
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)C(CC)Cl
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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 C31H51ClOS MW 507.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H51ClOS/c1-5-7-8-9-10-11-12-22-14-16-26-25-15-13-23-21-24(34-29(33)28(32)6-2)17-19-31(23,4)27(25)18-20-30(22,26)3/h13,22,24-28H,5-12,14-21H2,1-4H3InChIKey
QPRLUWUASKOVRZ-UHFFFAOYSA-NSynonyms
~(S)(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2chlorobutanethioate
3759159
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)C(CC)Cl
InChI=1SC31H51ClOSc1578910111222141626251513232124(3429(33)28(32)62)171931(234)27(25)182030(2226)3h13222428H5121421H214H3
MFCD01366466
S((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2chlorobutanethioate
S(1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2chlorobutanethioate(nonpreferredname)
ZINC000504638829
ZINC000504638848
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