Vitas-M small molecule compound
N-benzyl-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK826888
SMILES COc1ccc(cc1)C1C(=C(SCC(=O)NCc2ccccc2)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-28(2)13-22-26(23(32)14-28)25(19-9-11-20(34-3)12-10-19)21(15-29)27(31-22)35-17-24(33)30-16-18-7-5-4-6-8-18/h4-12,25,31H,13-14,16-17H2,1-3H3,(H,30,33)InChIKey
FEHUJYHTITZTGF-UHFFFAOYSA-NSynonyms
380647-13-2380647132
CC1(CC2=C(C(C(=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC28H29N3O3Sc128(2)132226(23(32)1428)25(1991120(343)121019)21(1529)27(3122)351724(33)3016187546818h4122531H13141617H213H3(H3033)
MFCD02943079
Nbenzyl2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
Nbenzyl2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetamide
Nbenzyl2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000000715947
ZINC000000715948
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