Vitas-M small molecule compound
2-iodo-6-methoxy-4-[(Z)-(1-methyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl acetate
Catalog ID
STL172577
SMILES COc1cc(cc(c1OC(=O)C)I)/C=C/1\C(=O)N(N=C1c1ccccc1)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 C20H17IN2O4 MW 476.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN2O4/c1-12(24)27-19-16(21)10-13(11-17(19)26-3)9-15-18(22-23(2)20(15)25)14-7-5-4-6-8-14/h4-11H,1-3H3/b15-9-InChIKey
BATNTKAZTATDOW-DHDCSXOGSA-NSynonyms
(2iodo6methoxy4((Z)(1methyl5oxo3phenylpyrazol4ylidene)methyl)phenyl)acetate
2iodo6methoxy4((Z)(1methyl5oxo3phenyl15dihydro4Hpyrazol4ylidene)methyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C)C3=CC=CC=C3)OC
COc1cc(cc(c1OC(=O)C)I)C=C1C(=O)N(N=C1c1ccccc1)C
InChI=1SC20H17IN2O4c112(24)271916(21)1013(1117(19)263)91518(2223(2)20(15)25)147546814h411H13H3b159
MFCD04047621
ZINC000013914470
ZINC13914470
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