Vitas-M small molecule compound

methyl 2-({[2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK541193
SMILES COc1cccc(c1)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/c1-36-16-9-7-8-15(14-16)33-24(29)22(23-25(33)31-19-12-5-4-11-18(19)30-23)26(34)32-27-21(28(35)37-2)17-10-3-6-13-20(17)38-27/h4-5,7-9,11-12,14H,3,6,10,13,29H2,1-2H3,(H,32,34)
InChIKey
UAEKMIAPNXCSMM-UHFFFAOYSA-N
Synonyms
371234-30-9
371234309
COC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)OC)N
InChI=1SC28H25N5O4Sc1361697815(1416)3324(29)22(2325(33)311912541118(19)3023)26(34)322721(28(35)372)1710361320(17)3827h4579111214H36101329H212H3(H3234)
methyl2(((2amino1(3methoxyphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1(3methoxyphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1(3methoxyphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03006851
ZINC000002313284
ZINC2313284

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Available files

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