Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(pentafluorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL390524
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1c(F)c(F)c(c(c1F)F)F
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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 C15H9F5N6O2S MW 432.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9F5N6O2S/c1-28-14(27)8-2-3-25(24-8)6-29-15-23-21-5-26(15)22-4-7-9(16)11(18)13(20)12(19)10(7)17/h2-5H,6H2,1H3/b22-4+InChIKey
GCFVXWUZZLMQPJ-LKNXVUQUSA-NSynonyms
1005587-86-91005587869
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=C(C(=C(C(=C3F)F)F)F)F
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1c(F)c(F)c(c(c1F)F)F
InChI=1SC15H9F5N6O2Sc12814(27)82325(248)629152321526(15)22479(16)11(18)13(20)12(19)10(7)17h25H6H21H3b224+
methyl1(((4(((E)(pentafluorophenyl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(23456pentafluorophenyl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667524
ZINC000002733157
ZINC96576873
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