Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STK886403
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC2=C(C1c1ccc(cc1)OC)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 C30H33N3O3S MW 515.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S/c1-17-11-18(2)28(19(3)12-17)33-25(35)16-37-29-22(15-31)26(20-7-9-21(36-6)10-8-20)27-23(32-29)13-30(4,5)14-24(27)34/h7-12,26,32H,13-14,16H2,1-6H3,(H,33,35)InChIKey
GQDYMPDAMNKIDZ-UHFFFAOYSA-NSynonyms
799802-41-82((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)Nmesitylacetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(246trimethylphenyl)acetamide
799802418
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C#N)C
InChI=1SC30H33N3O3Sc1171118(2)28(19(3)1217)3325(35)16372922(1531)26(207921(366)10820)2723(3229)1330(45)1424(27)34h7122632H131416H216H3(H3335)
MFCD03678865
ZINC000013175317
ZINC000013297914
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