Vitas-M small molecule compound
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-phenoxybutanoate (non-preferred name)
Catalog ID
STL553662
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C(Oc1ccccc1)CC
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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 C37H56O3 MW 548.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H56O3/c1-5-7-8-9-10-12-15-27-19-21-32-31-20-18-28-26-30(22-24-37(28,4)33(31)23-25-36(27,32)3)40-35(38)34(6-2)39-29-16-13-11-14-17-29/h11,13-14,16-18,27,30-34H,5-10,12,15,19-26H2,1-4H3InChIKey
LHYSLMYPHSEIKW-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2phenoxybutanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2phenoxybutanoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2phenoxybutanoate(nonpreferredname)
4420743
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C(Oc1ccccc1)CC
InChI=1SC37H56O3c1578910121527192132312018282630(222437(284)33(31)232536(2732)3)4035(38)34(62)3929161311141729h1113141618273034H51012151926H214H3
MFCD00987458
ZINC000070665951
ZINC000504771439
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