Vitas-M small molecule compound
4-(2-chlorophenyl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL434794
SMILES COc1ccccc1NC(=O)C1=C(C)NC2=C(C1c1ccccc1Cl)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 C26H27ClN2O3 MW 450.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O3/c1-15-22(25(31)29-18-11-7-8-12-21(18)32-4)23(16-9-5-6-10-17(16)27)24-19(28-15)13-26(2,3)14-20(24)30/h5-12,23,28H,13-14H2,1-4H3,(H,29,31)InChIKey
MBCDPKXWFKCZDU-UHFFFAOYSA-NSynonyms
4(2chlorophenyl)N(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
4(2chlorophenyl)N(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4OC
InChI=1SC26H27ClN2O3c11522(25(31)291811781221(18)324)23(169561017(16)27)2419(2815)1326(23)1420(24)30h5122328H1314H214H3(H2931)
MFCD30711422
ZINC000096336840
ZINC000096336841
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