Vitas-M small molecule compound

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

Catalog ID
STK018285
SMILES COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-20-10-14-23(15-11-20)27-31-32-28(33(27)24-16-12-21(2)13-17-24)36-19-26(34)30-29-18-6-8-22-7-4-5-9-25(22)35-3/h4-18H,19H2,1-3H3,(H,30,34)/b8-6+,29-18+
InChIKey
DFYUUJWCTFJPMK-RANPPGRXSA-N
Synonyms
488705-64-2
(E)2((45diptolyl4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2E)3(2METHOXYPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
488705642
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC=CC4=CC=CC=C4OC
COc1ccccc1C=CC=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC28H27N5O2Sc120101423(151120)27313228(33(27)24161221(2)131724)361926(34)3029186822745925(22)353h418H19H213H3(H3034)b86+2918+
MFCD02729624
N((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK018285
ZINC000002335284
ZINC101400499

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Available files

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