Vitas-M small molecule compound
methyl 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757255
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccc(cc1)S(=O)(=O)N
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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 C26H27N3O7S MW 525.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O7S/c1-26(2)11-17-22(18(30)12-26)21(14-4-9-19-20(10-14)36-13-35-19)23(25(31)34-3)24(27)29(17)15-5-7-16(8-6-15)37(28,32)33/h4-10,21H,11-13,27H2,1-3H3,(H2,28,32,33)InChIKey
OFHWVTKRTPNHHP-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C(=O)OC)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC26H27N3O7Sc126(2)111722(18(30)1226)21(14491920(1014)36133519)23(25(31)343)24(27)29(17)155716(8615)37(2832)33h41021H111327H213H3(H2283233)
methyl2amino4(13benzodioxol5yl)77dimethyl5oxo1(4sulfamoylphenyl)145678hexahydroquinoline3carboxylate
METHYL2AMINO4(13BENZODIOXOL5YL)77DIMETHYL5OXO1(4SULFAMOYLPHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01239736
ZINC000002573688
ZINC000003664823
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