Vitas-M small molecule compound
methyl 2-({[4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK778347
SMILES COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C2c2ccc4c(c2)OCO4)C(=O)CCC3)sc2c1CCCC2
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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 C28H28N2O6S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S/c1-14-22(26(32)30-27-24(28(33)34-2)16-6-3-4-9-21(16)37-27)23(25-17(29-14)7-5-8-18(25)31)15-10-11-19-20(12-15)36-13-35-19/h10-12,23,29H,3-9,13H2,1-2H3,(H,30,32)InChIKey
UGEFJEZXFRZTQH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)OC
InChI=1SC28H28N2O6Sc11422(26(32)302724(28(33)342)16634921(16)3727)23(2517(2914)75818(25)31)1510111920(1215)36133519h10122329H3913H212H3(H3032)
methyl2(((4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05856433
ZINC000001427192
ZINC000012416428
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