Vitas-M small molecule compound
2-iodo-6-methoxy-4-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
Catalog ID
STK958822
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)C)C)cc(c1OC(=O)c1ccccc1)I
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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 C26H21IN2O4 MW 552.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21IN2O4/c1-16-9-11-20(12-10-16)29-25(30)21(17(2)28-29)13-18-14-22(27)24(23(15-18)32-3)33-26(31)19-7-5-4-6-8-19/h4-15H,1-3H3/b21-13-InChIKey
ZNNFOVWWKAUUDS-BKUYFWCQSA-NSynonyms
445285-57-4(2iodo6methoxy4((Z)(3methyl1(4methylphenyl)5oxopyrazol4ylidene)methyl)phenyl)benzoate
2iodo6methoxy4((Z)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)phenylbenzoate
445285574
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OC(=O)C4=CC=CC=C4)OC)C(=N2)C
COc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)C)C)cc(c1OC(=O)c1ccccc1)I
InChI=1SC26H21IN2O4c11691120(121016)2925(30)21(17(2)2829)13181422(27)24(23(1518)323)3326(31)197546819h415H13H3b2113
MFCD02371705
ZINC000102846165
ZINC102846165
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