Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Catalog ID
STK887441
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
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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 C28H28ClN3O2S MW 506.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O2S/c1-4-17-5-11-20(12-6-17)31-24(34)16-35-27-21(15-30)25(18-7-9-19(29)10-8-18)26-22(32-27)13-28(2,3)14-23(26)33/h5-12,25,32H,4,13-14,16H2,1-3H3,(H,31,34)InChIKey
HCUPCPBZDWDIAW-UHFFFAOYSA-NSynonyms
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4ethylphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4ethylphenyl)acetamide
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N
InChI=1SC28H28ClN3O2Sc141751120(12617)3124(34)16352721(1530)25(187919(29)10818)2622(3227)1328(23)1423(26)33h5122532H4131416H213H3(H3134)
MFCD03000499
ZINC000040486428
ZINC000040486430
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