Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL399207
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1c(F)cccc1Cl
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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 C15H12ClFN6O2S MW 394.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClFN6O2S/c1-25-14(24)13-5-6-22(21-13)9-26-15-20-18-8-23(15)19-7-10-11(16)3-2-4-12(10)17/h2-8H,9H2,1H3/b19-7+InChIKey
GPNAWRSTNOLFFD-FBCYGCLPSA-NSynonyms
1005633-60-21005633602
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=C(C=CC=C3Cl)F
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1c(F)cccc1Cl
InChI=1SC15H12ClFN6O2Sc12514(24)135622(2113)926152018823(15)1971011(16)32412(10)17h28H9H21H3b197+
METHYL1(((4(((E)(2CHLORO6FLUOROPHENYL)METHYLIDENE)AMINO)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
methyl1((4((E)(2chloro6fluorophenyl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667568
ZINC000002733218
ZINC4510595
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