Vitas-M small molecule compound

(4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK324962
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)Cl)C)cc2c1oc(=O)s2

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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 C19H13ClN2O4S MW 400.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O4S/c1-10-14(18(23)22(21-10)13-5-3-4-12(20)9-13)6-11-7-15(25-2)17-16(8-11)27-19(24)26-17/h3-9H,1-2H3/b14-6+
InChIKey
QDOAPTXVJDBHEU-MKMNVTDBSA-N
Synonyms
6262-80-2
(4E)2(3chlorophenyl)4((7methoxy2oxo13benzoxathiol5yl)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(3CHLOROPHENYL)4((7METHOXY2OXO13BENZOXATHIOL5YL)METHYLIDENE)5METHYLPYRAZOL3ONE
6262802
CC1=NN(C(=O)C1=CC2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=CC=C4)Cl
COc1cc(C=C2C(=NN(C2=O)c2cccc(c2)Cl)C)cc2c1oc(=O)s2
InChI=1SC19H13ClN2O4Sc11014(18(23)22(2110)1353412(20)913)611715(252)1716(811)2719(24)2617h39H12H3b146+
MFCD01784390
ZINC000003891101
ZINC03891101
ZINC3891101

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Available files

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