Vitas-M small molecule compound
2-chloro-5-(3-{(Z)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK917342
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)c1cccc(c1C)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 C26H22ClN3O4S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4S/c1-13-6-5-7-22(15(13)3)30-24(32)20(23(31)28-26(30)35)11-17-10-14(2)29(16(17)4)18-8-9-21(27)19(12-18)25(33)34/h5-12H,1-4H3,(H,33,34)(H,28,31,35)/b20-11-InChIKey
UKGCIIPCEOXMPX-JAIQZWGSSA-NSynonyms
2CHLORO5(3((Z)(1(23DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2chloro5(3((Z)(1(23dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)C(=O)O)C)C(=O)NC2=S)C
InChI=1SC26H22ClN3O4Sc11365722(15(13)3)3024(32)20(23(31)2826(30)35)11171014(2)29(16(17)4)188921(27)19(1218)25(33)34h512H14H3(H3334)(H283135)b2011
MFCD02611766
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)c1cccc(c1C)C
ZINC000020417678
ZINC20417678
Check stock
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