Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK363757
SMILES CC1=C(C(=O)Nc2ccccc2)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc2c(c1)OCO2
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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 C26H26N2O4 MW 430.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4/c1-15-22(25(30)28-17-7-5-4-6-8-17)23(16-9-10-20-21(11-16)32-14-31-20)24-18(27-15)12-26(2,3)13-19(24)29/h4-11,23,27H,12-14H2,1-3H3,(H,28,30)InChIKey
MSMBWUGMVVKTBF-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)277trimethyl5oxoNphenyl145678hexahydroquinoline3carboxamide
4(13benzodioxol5yl)277trimethyl5oxoNphenyl1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5
InChI=1SC26H26N2O4c11522(25(30)28177546817)23(169102021(1116)32143120)2418(2715)1226(23)1319(24)29h4112327H1214H213H3(H2830)
MFCD01656011
ZINC000000861107
ZINC000019788471
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