Vitas-M small molecule compound
pentyl 1-butyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Catalog ID
STL232283
SMILES CCCCCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)CCCC
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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 C29H31N5O5 MW 529.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O5/c1-3-5-9-18-39-29(36)25-26-28(31-23-14-8-7-13-22(23)30-26)33(17-6-4-2)27(25)32-24(35)16-15-20-11-10-12-21(19-20)34(37)38/h7-8,10-16,19H,3-6,9,17-18H2,1-2H3,(H,32,35)/b16-15+InChIKey
MGXYTIBAUBOETH-FOCLMDBBSA-NSynonyms
373612-82-9(E)pentyl1butyl2(3(3nitrophenyl)acrylamido)1Hpyrrolo(23b)quinoxaline3carboxylate
373612829
CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O)
CCCCCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))n(c2c1nc1ccccc1n2)CCCC
InChI=1SC29H31N5O5c1359183929(36)252628(312314871322(23)3026)33(17642)27(25)3224(35)16152011101221(1920)34(37)38h78101619H3691718H212H3(H3235)b1615+
MFCD01948111
pentyl1butyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)1Hpyrrolo(23b)quinoxaline3carboxylate
PENTYL1BUTYL2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
ZINC000009330599
ZINC09330599
ZINC9330599
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