Vitas-M small molecule compound

1-(3,4-dichlorophenyl)-2-{[(4-nitrophenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK542105
SMILES C=CCNC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

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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 C27H18Cl2N6O4 MW 561.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl2N6O4/c1-2-13-30-27(37)22-23-25(32-21-6-4-3-5-20(21)31-23)34(17-11-12-18(28)19(29)14-17)24(22)33-26(36)15-7-9-16(10-8-15)35(38)39/h2-12,14H,1,13H2,(H,30,37)(H,33,36)
InChIKey
IGQCEKLDAGSUHW-UHFFFAOYSA-N
Synonyms

1(34dichlorophenyl)2(((4nitrophenyl)carbonyl)amino)N(prop2en1yl)1Hpyrrolo(23b)quinoxaline3carboxamide
1(34DICHLOROPHENYL)2((4NITROBENZOYL)AMINO)NPROP2ENYLPYRROLO(32B)QUINOXALINE3CARBOXAMIDE
C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Cl)Cl)NC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
C=CCNC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl
InChI=1SC27H18Cl2N6O4c12133027(37)222325(3221643520(21)3123)34(17111218(28)19(29)1417)24(22)3326(36)157916(10815)35(38)39h21214H113H2(H3037)(H3336)
MFCD03300368
Nallyl1(34dichlorophenyl)2(4nitrobenzamido)1Hpyrrolo(23b)quinoxaline3carboxamide
ZINC000001845327
ZINC01845327
ZINC1845327

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Available files

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