Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(4-bromo-5-ethylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL396098
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1cc(c(s1)CC)Br
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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 C15H15BrN6O2S2 MW 455.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15BrN6O2S2/c1-3-13-11(16)6-10(26-13)7-18-22-8-17-19-15(22)25-9-21-5-4-12(20-21)14(23)24-2/h4-8H,3,9H2,1-2H3/b18-7+InChIKey
LQXIIYIYXYKOPO-CNHKJKLMSA-NSynonyms
1005636-31-61005636316
CCC1=C(C=C(S1)C=NN2C=NN=C2SCN3C=CC(=N3)C(=O)OC)Br
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1cc(c(s1)CC)Br
InChI=1SC15H15BrN6O2S2c131311(16)610(2613)718228171915(22)259215412(2021)14(23)242h48H39H212H3b187+
METHYL1(((4(((E)(4BROMO5ETHYLTHIOPHEN2YL)METHYLIDENE)AMINO)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
methyl1((4((E)(4bromo5ethylthiophen2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667841
ZINC000002733941
ZINC2733940
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