Vitas-M small molecule compound
4-{(E)-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)hydrazinylidene]methyl}phenyl 3-bromo-1-methyl-1H-pyrazole-4-carboxylate
Catalog ID
STK425521
SMILES Cn1nc(c(c1)C(=O)Oc1ccc(cc1)/C=N/NC(=O)c1csc2c1CCCC2)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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-26-11-16(19(22)25-26)21(28)29-14-8-6-13(7-9-14)10-23-24-20(27)17-12-30-18-5-3-2-4-15(17)18/h6-12H,2-5H2,1H3,(H,24,27)/b23-10+InChIKey
GONNNZAGQDXNCF-AUEPDCJTSA-NSynonyms
(4((E)(4567tetrahydro1benzothiophene3carbonylhydrazinylidene)methyl)phenyl)3bromo1methylpyrazole4carboxylate
4((E)(2(4567tetrahydro1benzothiophen3ylcarbonyl)hydrazinylidene)methyl)phenyl3bromo1methyl1Hpyrazole4carboxylate
CN1C=C(C(=N1)Br)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CSC4=C3CCCC4
Cn1nc(c(c1)C(=O)Oc1ccc(cc1)C=NNC(=O)c1csc2c1CCCC2)Br
InChI=1SC21H19BrN4O3Sc1261116(19(22)2526)21(28)29148613(7914)10232420(27)17123018532415(17)18h612H25H21H3(H2427)b2310+
MFCD02375441
ZINC000001005589
ZINC33291616
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