Vitas-M small molecule compound
4-chlorophenyl 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 carbonate (non-preferred name)
Catalog ID
STL553635
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccc(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 C34H49ClO3 MW 541.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H49ClO3/c1-4-5-6-7-8-9-10-24-12-18-30-29-17-11-25-23-28(38-32(36)37-27-15-13-26(35)14-16-27)19-21-34(25,3)31(29)20-22-33(24,30)2/h11,13-16,24,28-31H,4-10,12,17-23H2,1-3H3InChIKey
NCLKUEFDBFUEAL-UHFFFAOYSA-NSynonyms
(4chlorophenyl)(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)carbonate
3428902
4chlorophenyl((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)carbonate
4chlorophenyl1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylcarbonate(nonpreferredname)
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)Oc1ccc(cc1)Cl
InChI=1SC34H49ClO3c14567891024121830291711252328(3832(36)3727151326(35)141627)192134(253)31(29)202233(2430)2h111316242831H410121723H213H3
MFCD01364290
ZINC000504206542
ZINC000504206545
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