Vitas-M small molecule compound

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

Catalog ID
STK532236
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)C(c1ccccc1)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 C30H25N5O5 MW 535.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O5/c1-3-40-30(37)26-27-29(32-24-15-8-7-14-23(24)31-27)34(19(2)21-11-5-4-6-12-21)28(26)33-25(36)17-16-20-10-9-13-22(18-20)35(38)39/h4-19H,3H2,1-2H3,(H,33,36)/b17-16+
InChIKey
XXRBHQCZUVBAAH-WUKNDPDISA-N
Synonyms
374543-41-6
(E)ethyl2(3(3nitrophenyl)acrylamido)1(1phenylethyl)1Hpyrrolo(23b)quinoxaline3carboxylate
374543416
CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C(C)C4=CC=CC=C4)NC(=O)C=CC5=CC(=CC=C5)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))n(c2c1nc1ccccc1n2)C(c1ccccc1)C
ethyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)1(1phenylethyl)1Hpyrrolo(23b)quinoxaline3carboxylate
ETHYL2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)1(1PHENYLETHYL)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
InChI=1SC30H25N5O5c134030(37)262729(322415871423(24)3127)34(19(2)21115461221)28(26)3325(36)1716201091322(1820)35(38)39h419H3H212H3(H3336)b1716+
MFCD01956008
ZINC000001816765
ZINC000001816767

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Available files

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