Vitas-M small molecule compound
(2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-{1-[4-(cyclohexylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}prop-2-enamide
Catalog ID
STK381671
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1)C)/C(=O)Nc1cccc(c1C)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 C29H30ClN5O3 MW 532.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN5O3/c1-18-14-21(15-22(17-31)29(36)33-26-11-7-10-25(30)19(26)2)20(3)34(18)24-12-13-27(28(16-24)35(37)38)32-23-8-5-4-6-9-23/h7,10-16,23,32H,4-6,8-9H2,1-3H3,(H,33,36)/b22-15+InChIKey
NXBPXNPKIRNESU-PXLXIMEGSA-NSynonyms
(2E)N(3chloro2methylphenyl)2cyano3(1(4(cyclohexylamino)3nitrophenyl)25dimethyl1Hpyrrol3yl)prop2enamide
(E)N(3CHLORO2METHYLPHENYL)2CYANO3(1(4(CYCLOHEXYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCCC3)(N+)(=O)(O))C)C=C(C#N)C(=O)NC4=C(C(=CC=C4)Cl)C
InChI=1SC29H30ClN5O3c1181421(1522(1731)29(36)33261171025(30)19(26)2)20(3)34(18)24121327(28(1624)35(37)38)32238546923h710162332H4689H213H3(H3336)b2215+
MFCD02904649
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)(N+)(=O)(O))NC1CCCCC1)C)C(=O)Nc1cccc(c1C)Cl
N(3CHLORO2METHYLPHENYL)2CYANO3(1(4(CYCLOHEXYLAMINO)3NITROPHENYL)25DIMETHYL1HPYRROL3YL)ACRYLAMIDE
ZINC000004091466
ZINC4091466
Check stock
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Check stock on Vitas-MAvailable files
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