Vitas-M small molecule compound
methyl 2-({[2-amino-1-(4-butylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK540403
SMILES CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C31H31N5O3S MW 553.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O3S/c1-3-4-9-18-14-16-19(17-15-18)36-27(32)25(26-28(36)34-22-12-7-6-11-21(22)33-26)29(37)35-30-24(31(38)39-2)20-10-5-8-13-23(20)40-30/h6-7,11-12,14-17H,3-5,8-10,13,32H2,1-2H3,(H,35,37)InChIKey
WSFUZGMZFJHLTM-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)OC)N
InChI=1SC31H31N5O3Sc134918141619(171518)3627(32)25(2628(36)342212761121(22)3326)29(37)353024(31(38)392)2010581323(20)4030h6711121417H358101332H212H3(H3537)
methyl2(((2amino1(4butylphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1(4butylphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1(4butylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03007315
ZINC000001887381
ZINC01887381
ZINC1887381
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