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-chlorobenzoate (non-preferred name)
Catalog ID
STL524499
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)c1ccc(cc1)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 C34H49ClO2 MW 525.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H49ClO2/c1-4-5-6-7-8-9-10-25-14-18-30-29-17-13-26-23-28(37-32(36)24-11-15-27(35)16-12-24)19-21-34(26,3)31(29)20-22-33(25,30)2/h11-13,15-16,25,28-31H,4-10,14,17-23H2,1-3H3/t25?,28-,29?,30?,31?,33+,34-/m0/s1InChIKey
XBKPWPUIOKMUSY-PUTNHYPNSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)4chlorobenzoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl4chlorobenzoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl4chlorobenzoate(nonpreferredname)
16396130
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)c1ccc(cc1)Cl
InChI=1SC34H49ClO2c14567891025141830291713262328(3732(36)24111527(35)161224)192134(263)31(29)202233(2530)2h11131516252831H410141723H213H3t25?2829?30?31?33+34m0s1
MFCD01081532
ZINC000070665969
ZINC000253500123
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