Vitas-M small molecule compound

methyl 4-cyano-3-{[(3,5-dinitrophenyl)carbonyl]amino}-5-methyl-1-phenyl-1H-pyrrole-2-carboxylate

Catalog ID
STK844863
SMILES COC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])c(c(n1c1ccccc1)C)C#N

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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 C21H15N5O7 MW 449.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O7/c1-12-17(11-22)18(19(21(28)33-2)24(12)14-6-4-3-5-7-14)23-20(27)13-8-15(25(29)30)10-16(9-13)26(31)32/h3-10H,1-2H3,(H,23,27)
InChIKey
MXRQHOLVPQEBFZ-UHFFFAOYSA-N
Synonyms
374597-21-4
374597214
CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)OC)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))C#N
COC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))c(c(n1c1ccccc1)C)C#N
InChI=1SC21H15N5O7c11217(1122)18(19(21(28)332)24(12)146435714)2320(27)13815(25(29)30)1016(913)26(31)32h310H12H3(H2327)
methyl4cyano3(((35dinitrophenyl)carbonyl)amino)5methyl1phenyl1Hpyrrole2carboxylate
METHYL4CYANO3((35DINITROBENZOYL)AMINO)5METHYL1PHENYL1HPYRROLE2CARBOXYLATE
METHYL4CYANO3((35DINITROBENZOYL)AMINO)5METHYL1PHENYLPYRROLE2CARBOXYLATE
methyl4cyano3(35dinitrobenzamido)5methyl1phenyl1Hpyrrole2carboxylate
MFCD01957562
ZINC000002261312
ZINC02261312
ZINC2261312

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Available files

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