Vitas-M small molecule compound
(3S,10R,13R)-3-chloro-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (non-preferred name)
Catalog ID
STL525493
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)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 C27H45Cl MW 405.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H45Cl/c1-4-5-6-7-8-9-10-20-12-14-24-23-13-11-21-19-22(28)15-17-27(21,3)25(23)16-18-26(20,24)2/h11,20,22-25H,4-10,12-19H2,1-3H3/t20?,22-,23?,24?,25?,26+,27-/m0/s1InChIKey
VPYNRYXSMJMETL-MEMPXMHSSA-NSynonyms
(3~(S)10~(R)13~(R))3chloro1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthrene
(3S10R13R)3chloro1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene
(3S10R13R)3chloro1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene(nonpreferredname)
16395266
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)Cl
InChI=1SC27H45Clc14567891020121424231311211922(28)151727(213)25(23)161826(2024)2h11202225H4101219H213H3t20?2223?24?25?26+27m0s1
MFCD01083713
ZINC000070664823
ZINC000253500068
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