Vitas-M small molecule compound

2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide

Catalog ID
STL362650
SMILES COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)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 C26H22BrN5O2S MW 548.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5O2S/c1-34-23-12-6-5-8-19(23)9-7-17-28-29-24(33)18-35-26-31-30-25(20-13-15-21(27)16-14-20)32(26)22-10-3-2-4-11-22/h2-17H,18H2,1H3,(H,29,33)/b9-7+,28-17+
InChIKey
ONKDMMIOMFHQCX-AWRNBQGKSA-N
Synonyms
315182-08-2
(E)2((5(4bromophenyl)4phenyl4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((5(4BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4bromophenyl)4phenyl4H124triazol3yl)sulfanyl)N((1E2E)3(2methoxyphenyl)prop2en1ylidene)acetohydrazide
315182082
COC1=CC=CC=C1C=CC=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
COc1ccccc1C=CC=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Br
InChI=1SC26H22BrN5O2Sc134231265819(23)9717282924(33)183526313025(20131521(27)161420)32(26)22103241122h217H18H21H3(H2933)b97+2817+
MFCD02074942
N((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(5(4BROMOPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002323820
ZINC100315799

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Available files

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