Vitas-M small molecule compound
2-chloro-5-{(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL432096
SMILES CC1=NN(C(=O)/C/1=C\c1ccc2c(c1)n(C)c(=O)n2C)c1ccc(c(c1)C(=O)O)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 C21H17ClN4O4 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4/c1-11-14(8-12-4-7-17-18(9-12)25(3)21(30)24(17)2)19(27)26(23-11)13-5-6-16(22)15(10-13)20(28)29/h4-10H,1-3H3,(H,28,29)/b14-8-InChIKey
UBAJCNBIYMSQKD-ZSOIEALJSA-NSynonyms
2chloro5((4Z)4((13dimethyl2oxo23dihydro1Hbenzimidazol5yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5((4Z)4((13DIMETHYL2OXOBENZIMIDAZOL5YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(c(c1)C(=O)O)Cl
CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC21H17ClN4O4c11114(812471718(912)25(3)21(30)24(17)2)19(27)26(2311)135616(22)15(1013)20(28)29h410H13H3(H2829)b148
MFCD03785968
ZINC000016160964
ZINC16160964
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