Vitas-M small molecule compound
3-(3-{(E)-[1-(3-chloro-2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
Catalog ID
STK187522
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)c1cccc(c1C)C(=O)O)C)c1cccc(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 C26H22ClN3O5 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O5/c1-13-11-17(16(4)29(13)21-9-5-7-18(14(21)2)25(33)34)12-19-23(31)28-26(35)30(24(19)32)22-10-6-8-20(27)15(22)3/h5-12H,1-4H3,(H,33,34)(H,28,31,35)/b19-12+InChIKey
FQBWZPUZWRFWLW-XDHOZWIPSA-NSynonyms
3(3((E)(1(3CHLORANYL2METHYLPHENYL)246TRIS(OXIDANYLIDENE)13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
3(3((E)(1(3CHLORO2METHYLPHENYL)246TRIKETOHEXAHYDROPYRIMIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
3(3((E)(1(3CHLORO2METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYL1PYRROLYL)2METHYLBENZOICACID
3(3((E)(1(3CHLORO2METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
3(3((E)(1(3CHLORO2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C
InChI=1SC26H22ClN3O5c1131117(16(4)29(13)2195718(14(21)2)25(33)34)121923(31)2826(35)30(24(19)32)22106820(27)15(22)3h512H14H3(H3334)(H283135)b1912+
MFCD08671411
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1C)C(=O)O)C)c1cccc(c1C)Cl
ZINC000009907492
ZINC9907492
Check stock
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Check stock on Vitas-MAvailable files
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