Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(4-bromothiophen-2-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STK314324
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1scc(c1)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 C13H11BrN6O2S2 MW 427.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11BrN6O2S2/c1-22-12(21)11-2-3-19(18-11)8-24-13-17-15-7-20(13)16-5-10-4-9(14)6-23-10/h2-7H,8H2,1H3/b16-5+InChIKey
PYYSUIQPSFMOOU-FZSIALSZSA-NSynonyms
1005702-25-91005702259
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC(=CS3)Br
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1scc(c1)Br
InChI=1SC13H11BrN6O2S2c12212(21)112319(1811)824131715720(13)1651049(14)62310h27H8H21H3b165+
methyl1(((4(((E)(4bromothiophen2yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(4bromothiophen2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667695
ZINC000002733751
ZINC4510600
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