Vitas-M small molecule compound
4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174525
SMILES COc1ccc(cc1COc1ccc(cc1Cl)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cn1)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 C33H33BrClN3O4 MW 651.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33BrClN3O4/c1-18-6-11-28(36-16-18)38-32(40)29-19(2)37-24-14-33(3,4)15-25(39)31(24)30(29)20-7-9-26(41-5)21(12-20)17-42-27-10-8-22(34)13-23(27)35/h6-13,16,30,37H,14-15,17H2,1-5H3,(H,36,38,40)InChIKey
JFSQNBWWBQCNKS-UHFFFAOYSA-NSynonyms
4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)277trimethylN(5methylpyridin2yl)5oxo145678hexahydroquinoline3carboxamide
4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)277trimethylN(5methylpyridin2yl)5oxo1468tetrahydroquinoline3carboxamide
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)OC)COC5=C(C=C(C=C5)Br)Cl)C(=O)CC(C3)(C)C)C
InChI=1SC33H33BrClN3O4c11861128(361618)3832(40)2919(2)37241433(34)1525(39)31(24)30(29)207926(415)21(1220)17422710822(34)1323(27)35h613163037H141517H215H3(H363840)
MFCD02606296
ZINC000150392368
ZINC000150392370
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