Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STK313811
SMILES COc1ccc(c(c1)/C=N/n1cnnc1SCn1ccc(n1)C(=O)OC)OC
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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 C17H18N6O4S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O4S/c1-25-13-4-5-15(26-2)12(8-13)9-19-23-10-18-20-17(23)28-11-22-7-6-14(21-22)16(24)27-3/h4-10H,11H2,1-3H3/b19-9+InChIKey
VZTOXCDUFZAPIZ-DJKKODMXSA-NSynonyms
1005700-35-51005700355
COC1=CC(=C(C=C1)OC)C=NN2C=NN=C2SCN3C=CC(=N3)C(=O)OC
COc1ccc(c(c1)C=Nn1cnnc1SCn1ccc(n1)C(=O)OC)OC
InChI=1SC17H18N6O4Sc125134515(262)12(813)9192310182017(23)2811227614(2122)16(24)273h410H11H213H3b199+
methyl1(((4(((E)(25dimethoxyphenyl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(25dimethoxyphenyl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667467
ZINC000002733065
ZINC96603103
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