Vitas-M small molecule compound
methyl 2-({[2-amino-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL238648
SMILES COc1ccc(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 C28H25N5O4S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4S/c1-36-16-13-11-15(12-14-16)33-24(29)22(23-25(33)31-19-9-5-4-8-18(19)30-23)26(34)32-27-21(28(35)37-2)17-7-3-6-10-20(17)38-27/h4-5,8-9,11-14H,3,6-7,10,29H2,1-2H3,(H,32,34)InChIKey
RVDRLXGKPDGQKE-UHFFFAOYSA-NSynonyms
370869-63-9370869639
COC1=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=1SC28H25N5O4Sc13616131115(121416)3324(29)22(2325(33)3119954818(19)3023)26(34)322721(28(35)372)177361020(17)3827h45891114H3671029H212H3(H3234)
methyl2(((2amino1(4methoxyphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1(4methoxyphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1(4methoxyphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03010562
ZINC000002316056
ZINC2316056
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