Vitas-M small molecule compound
3-({2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK112525
SMILES CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1cccc(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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-3-34-24-15-19(13-22-17(2)29-30(26(22)31)21-10-5-4-6-11-21)14-23(28)25(24)35-16-18-8-7-9-20(12-18)27(32)33/h4-15H,3,16H2,1-2H3,(H,32,33)/b22-13+InChIKey
LKTHICHZPUEANR-LPYMAVHISA-NSynonyms
3((2CHLORO6ETHOXY4((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2CHLORO6ETHOXY4((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC4=CC=CC(=C4)C(=O)O
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1cccc(c1)C(=O)O)Cl
InChI=1SC27H23ClN2O5c1334241519(132217(2)2930(26(22)31)21105461121)1423(28)25(24)35161887920(1218)27(32)33h415H316H212H3(H3233)b2213+
MFCD04127630
ZINC000009323372
ZINC9323372
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