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 4-chlorobutanoate (non-preferred name)
Catalog ID
STL524665
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CCCCl
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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/c1-4-5-6-7-8-9-11-23-14-16-27-26-15-13-24-22-25(34-29(33)12-10-21-32)17-19-31(24,3)28(26)18-20-30(23,27)2/h13,23,25-28H,4-12,14-22H2,1-3H3/t23?,25-,26?,27?,28?,30+,31-/m0/s1InChIKey
GDOXPOQXTZCSGF-RTDTWUDESA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)4chlorobutanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl4chlorobutanoate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl4chlorobutanoate
135638965
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)CCCCl
InChI=1SC31H51ClO2c14567891123141627261513242225(3429(33)12102132)171931(243)28(26)182030(2327)2h13232528H4121422H213H3t23?2526?27?28?30+31m0s1
MFCD01082160
ZINC000504248807
ZINC001772491749
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