Vitas-M small molecule compound

3-(2,5-dimethyl-3-{(E)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)-4-methylbenzoic acid

Catalog ID
STK201184
SMILES OC(=O)c1ccc(c(c1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1C)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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-14-7-5-6-8-21(14)29-24(31)20(23(30)27-26(29)34)12-19-11-16(3)28(17(19)4)22-13-18(25(32)33)10-9-15(22)2/h5-13H,1-4H3,(H,32,33)(H,27,30,34)/b20-12+
InChIKey
NGYFZCXCUSHLJD-UDWIEESQSA-N
Synonyms

3(25dimethyl3((E)(1(2methylphenyl)246trioxo13diazinan5ylidene)methyl)pyrrol1yl)4methylbenzoicacid
3(25DIMETHYL3((E)(1(2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4C)C
InChI=1SC26H23N3O5c114756821(14)2924(31)20(23(30)2726(29)34)12191116(3)28(17(19)4)221318(25(32)33)10915(22)2h513H14H3(H3233)(H273034)b2012+
MFCD04401263
OC(=O)c1ccc(c(c1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1C)C
ZINC000009493456
ZINC9493456

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Available files

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