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 2-chlorobenzoate (non-preferred name)
Catalog ID
STL564756
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)c1ccccc1Cl
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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/c1-4-5-6-7-8-9-12-24-16-18-29-27-17-15-25-23-26(37-32(36)28-13-10-11-14-31(28)35)19-21-34(25,3)30(27)20-22-33(24,29)2/h10-11,13-15,24,26-27,29-30H,4-9,12,16-23H2,1-3H3/t24?,26-,27?,29?,30?,33+,34-/m0/s1InChIKey
KGRMPAZZOSBBBA-GNCMVHHHSA-NSynonyms
((3S10R13R)1013dimethyl17octyl234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2chlorobenzoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2chlorobenzoate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2chlorobenzoate
145705541
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)c1ccccc1Cl
InChI=1SC34H49ClO2c14567891224161829271715252326(3732(36)281310111431(28)35)192134(253)30(27)202233(2429)2h101113152426272930H49121623H213H3t24?2627?29?30?33+34m0s1
MFCD32651553
ZINC000503886657
ZINC001848443634
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