Vitas-M small molecule compound

ethyl 1-(4-methylphenyl)-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Catalog ID
STK642207
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)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 C29H23N5O5 MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O5/c1-3-39-29(36)25-26-28(31-23-10-5-4-9-22(23)30-26)33(20-14-11-18(2)12-15-20)27(25)32-24(35)16-13-19-7-6-8-21(17-19)34(37)38/h4-17H,3H2,1-2H3,(H,32,35)/b16-13+
InChIKey
HKPGACYYEYBQPZ-DTQAZKPQSA-N
Synonyms
373376-27-3
(E)ethyl2(3(3nitrophenyl)acrylamido)1(ptolyl)1Hpyrrolo(23b)quinoxaline3carboxylate
373376273
CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C)NC(=O)C=CC5=CC(=CC=C5)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))n(c2c1nc1ccccc1n2)c1ccc(cc1)C
ethyl1(4methylphenyl)2(((2E)3(3nitrophenyl)prop2enoyl)amino)1Hpyrrolo(23b)quinoxaline3carboxylate
ETHYL1(4METHYLPHENYL)2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
InChI=1SC29H23N5O5c133929(36)252628(31231054922(23)3026)33(20141118(2)121520)27(25)3224(35)16131976821(1719)34(37)38h417H3H212H3(H3235)b1613+
MFCD01947283
ZINC000002280724
ZINC02280724
ZINC2280724

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Available files

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