Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK012473
SMILES COc1ccccc1NC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-15-23(26(31)29-17-7-5-6-8-20(17)32-4)24(16-9-10-21-22(11-16)34-14-33-21)25-18(28-15)12-27(2,3)13-19(25)30/h5-11,24,28H,12-14H2,1-4H3,(H,29,31)InChIKey
PKZBBTJKZWQENU-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)N(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
4(13benzodioxol5yl)N(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OC
COc1ccccc1NC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
InChI=1SC27H28N2O5c11523(26(31)2917756820(17)324)24(169102122(1116)34143321)2518(2815)1227(23)1319(25)30h5112428H1214H214H3(H2931)
MFCD02104904
STK012473
ZINC000006138010
ZINC000019907211
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