Vitas-M small molecule compound

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

Catalog ID
STK540563
SMILES COc1cc(ccc1OC)CCn1c2nc3ccccc3nc2c(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 C31H31N5O5S MW 585.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O5S/c1-39-21-13-12-17(16-22(21)40-2)14-15-36-27(32)25(26-28(36)34-20-10-6-5-9-19(20)33-26)29(37)35-30-24(31(38)41-3)18-8-4-7-11-23(18)42-30/h5-6,9-10,12-13,16H,4,7-8,11,14-15,32H2,1-3H3,(H,35,37)
InChIKey
UUVSXTVLPREZPJ-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)OC)N)OC
InChI=1SC31H31N5O5Sc13921131217(1622(21)402)14153627(32)25(2628(36)34201065919(20)3326)29(37)353024(31(38)413)188471123(18)4230h56910121316H47811141532H213H3(H3537)
methyl2(((2amino1(2(34dimethoxyphenyl)ethyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1(2(34dimethoxyphenyl)ethyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1(34dimethoxyphenethyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03006860
ZINC000001869088
ZINC01869088
ZINC1869088

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.