Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-(2,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK661963
SMILES COc1ccc(c(c1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)OC
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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 C20H17ClN2O5 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5/c1-11-15(9-12-8-14(27-2)5-7-18(12)28-3)19(24)23(22-11)13-4-6-17(21)16(10-13)20(25)26/h4-10H,1-3H3,(H,25,26)/b15-9-InChIKey
ASYYDXCAIAVMMR-DHDCSXOGSA-NSynonyms
2CHLORO5((4Z)4((25DIMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
2chloro5((4Z)4(25dimethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)OC)OC)C3=CC(=C(C=C3)Cl)C(=O)O
COc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)OC
InChI=1SC20H17ClN2O5c11115(912814(272)5718(12)283)19(24)23(2211)134617(21)16(1013)20(25)26h410H13H3(H2526)b159
MFCD01158545
ZINC000004524148
ZINC4524148
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