Vitas-M small molecule compound
methyl 2-({[2-amino-1-(3-chlorophenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK539410
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)Cl
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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 C27H22ClN5O3S MW 532.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O3S/c1-36-27(35)20-16-9-2-5-12-19(16)37-26(20)32-25(34)21-22-24(31-18-11-4-3-10-17(18)30-22)33(23(21)29)15-8-6-7-14(28)13-15/h3-4,6-8,10-11,13H,2,5,9,12,29H2,1H3,(H,32,34)InChIKey
NHVSGECILOXBES-UHFFFAOYSA-NSynonyms
371124-76-4371124764
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC(=CC=C6)Cl)N
InChI=1SC27H22ClN5O3Sc13627(35)20169251219(16)3726(20)3225(34)212224(311811431017(18)3022)33(23(21)29)1586714(28)1315h3468101113H2591229H21H3(H3234)
methyl2(((2amino1(3chlorophenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1(3chlorophenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1(3chlorophenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03007903
ZINC000002313951
ZINC2313951
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