Vitas-M small molecule compound

2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-phenylbutylidene]acetohydrazide

Catalog ID
STK556362
SMILES CCC/C(=N\NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)/c1ccccc1

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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 C21H22BrN5OS MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5OS/c1-3-7-18(15-8-5-4-6-9-15)23-24-19(28)14-29-21-26-25-20(27(21)2)16-10-12-17(22)13-11-16/h4-6,8-13H,3,7,14H2,1-2H3,(H,24,28)/b23-18+
InChIKey
YCUNTPIYIDZRHI-PTGBLXJZSA-N
Synonyms
347911-44-8
(E)2((5(4bromophenyl)4methyl4H124triazol3yl)thio)N(1phenylbutylidene)acetohydrazide
2((5(4BROMOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N((E)1PHENYLBUTYLIDENEAMINO)ACETAMIDE
2((5(4bromophenyl)4methyl4H124triazol3yl)sulfanyl)N((1E)1phenylbutylidene)acetohydrazide
347911448
CCCC(=NNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br)C3=CC=CC=C3
CCCC(=NNC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)c1ccccc1
InChI=1SC21H22BrN5OSc13718(158546915)232419(28)142921262520(27(21)2)16101217(22)131116h46813H3714H212H3(H2428)b2318+
MFCD02610057
ZINC000013513610
ZINC102473836

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Available files

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