Vitas-M small molecule compound

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

Catalog ID
STK105733
SMILES COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)C

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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 C27H24ClN5O2S MW 518.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O2S/c1-19-9-11-21(12-10-19)26-31-32-27(33(26)23-15-13-22(28)14-16-23)36-18-25(34)30-29-17-5-7-20-6-3-4-8-24(20)35-2/h3-17H,18H2,1-2H3,(H,30,34)/b7-5+,29-17+
InChIKey
KKQABWLIMUOFMN-UOFJPCGLSA-N
Synonyms
488810-61-3
(E)2((4(4chlorophenyl)5(ptolyl)4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2E)3(2METHOXYPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
488810613
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC=CC4=CC=CC=C4OC
COc1ccccc1C=CC=NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)C
InChI=1SC27H24ClN5O2Sc11991121(121019)26313227(33(26)23151322(28)141623)361825(34)3029175720634824(20)352h317H18H212H3(H3034)b75+2917+
MFCD03220171
N((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(4(4CHLOROPHENYL)5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002353321
ZINC35212339

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Available files

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