Vitas-M small molecule compound

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

Catalog ID
STK106790
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C/C=C/c1ccccc1OC

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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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-20-10-14-23(15-11-20)33-27(22-12-16-24(35-2)17-13-22)31-32-28(33)37-19-26(34)30-29-18-6-8-21-7-4-5-9-25(21)36-3/h4-18H,19H2,1-3H3,(H,30,34)/b8-6+,29-18+
InChIKey
JLVZMXZDOFCRCG-RANPPGRXSA-N
Synonyms
497951-63-0
(E)2((5(4methoxyphenyl)4(ptolyl)4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2E)3(2METHOXYPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
497951630
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC=CC3=CC=CC=C3OC)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)NN=CC=Cc1ccccc1OC
InChI=1SC28H27N5O3Sc120101423(151120)3327(22121624(352)171322)313228(33)371926(34)3029186821745925(21)363h418H19H213H3(H3034)b86+2918+
MFCD03220424
N((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(5(4METHOXYPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001818000
ZINC33897310

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Available files

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