Vitas-M small molecule compound
ethyl 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
STK538262
SMILES CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OCC)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 C32H33N5O3S MW 567.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N5O3S/c1-3-5-10-19-15-17-20(18-16-19)37-28(33)26(27-29(37)35-23-13-8-7-12-22(23)34-27)30(38)36-31-25(32(39)40-4-2)21-11-6-9-14-24(21)41-31/h7-8,12-13,15-18H,3-6,9-11,14,33H2,1-2H3,(H,36,38)InChIKey
NBXQLAGJXFASRJ-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)OCC)N
ethyl2(((2amino1(4butylphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2amino1(4butylphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino1(4butylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC32H33N5O3Sc1351019151720(181619)3728(33)26(2729(37)352313871222(23)3427)30(38)363125(32(39)4042)2111691424(21)4131h7812131518H369111433H212H3(H3638)
MFCD02999709
ZINC000001758534
ZINC01758534
ZINC1758534
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