Vitas-M small molecule compound
N-(2-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}ethyl)-3,4,5-trimethoxybenzamide
Catalog ID
STL032858
SMILES COc1cc(cc(c1OC)OC)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)C
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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 C29H29N5O6S MW 575.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O6S/c1-17-9-11-19(12-10-17)41(36,37)26-24-28(33-21-8-6-5-7-20(21)32-24)34(27(26)30)14-13-31-29(35)18-15-22(38-2)25(40-4)23(16-18)39-3/h5-12,15-16H,13-14,30H2,1-4H3,(H,31,35)InChIKey
IUTGBRNLUAKTBD-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCNC(=O)C5=CC(=C(C(=C5)OC)OC)OC)N
InChI=1SC29H29N5O6Sc11791119(121017)41(3637)262428(3321865720(21)3224)34(27(26)30)14133129(35)181522(382)25(404)23(1618)393h5121516H131430H214H3(H3135)
MFCD02986543
N(2(2amino3((4methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxalin1yl)ethyl)345trimethoxybenzamide
N(2(2AMINO3(4METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN1YL)ETHYL)345TRIMETHOXYBENZAMIDE
N(2(2amino3tosyl1Hpyrrolo(23b)quinoxalin1yl)ethyl)345trimethoxybenzamide
ZINC000002591479
ZINC2591479
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