Vitas-M small molecule compound
4-{3-methoxy-4-[(phenylsulfanyl)methyl]phenyl}-2,7,7-trimethyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174264
SMILES COc1cc(ccc1CSc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1nccc(c1)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 C33H35N3O3S MW 553.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O3S/c1-20-13-14-34-28(15-20)36-32(38)29-21(2)35-25-17-33(3,4)18-26(37)31(25)30(29)22-11-12-23(27(16-22)39-5)19-40-24-9-7-6-8-10-24/h6-16,30,35H,17-19H2,1-5H3,(H,34,36,38)InChIKey
PCJYYZFXQFRWAI-UHFFFAOYSA-NSynonyms
495375-94-54(3methoxy4((phenylsulfanyl)methyl)phenyl)277trimethylN(4methylpyridin2yl)5oxo145678hexahydroquinoline3carboxamide
4(3methoxy4(phenylsulfanylmethyl)phenyl)277trimethylN(4methylpyridin2yl)5oxo1468tetrahydroquinoline3carboxamide
495375945
CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)CSC5=CC=CC=C5)OC)C(=O)CC(C3)(C)C)C
InChI=1SC33H35N3O3Sc12013143428(1520)3632(38)2921(2)35251733(34)1826(37)31(25)30(29)22111223(27(1622)395)19402497681024h6163035H1719H215H3(H343638)
MFCD02606294
ZINC000008450304
ZINC000008450305
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