Vitas-M small molecule compound
(3S,10R,13R)-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-chlorobutanoate (non-preferred name)
Catalog ID
STL524967
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=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 C31H51ClO2 MW 491.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H51ClO2/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,5-12,14-21H2,1-4H3/t22?,24-,25?,26?,27?,28?,30+,31-/m0/s1InChIKey
JKEJJFJGGOFWEL-RDYYNCMISA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2chlorobutanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2chlorobutanoate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2chlorobutanoate
135638997
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)OC(=O)C(CC)Cl
InChI=1SC31H51ClO2c1578910111222141626251513232124(3429(33)28(32)62)171931(234)27(25)182030(2226)3h13222428H5121421H214H3t22?2425?26?27?28?30+31m0s1
MFCD01081413
ZINC001772491584
ZINC001772491587
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