Vitas-M small molecule compound
2-{(E)-[2-({[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Catalog ID
STK722888
SMILES O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)N/N=C/c1ccccc1C(=O)O
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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 C25H27N5O3S MW 477.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3S/c1-17-11-13-18(14-12-17)23-28-29-25(30(23)20-8-3-2-4-9-20)34-16-22(31)27-26-15-19-7-5-6-10-21(19)24(32)33/h5-7,10-15,20H,2-4,8-9,16H2,1H3,(H,27,31)(H,32,33)/b26-15+InChIKey
XMIWPIRHONWOLR-CVKSISIWSA-NSynonyms
497169-93-4(E)2((2(2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((E)((2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
2((E)(2(((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
497169934
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=CC=CC=C4C(=O)O
InChI=1SC25H27N5O3Sc117111318(141217)23282925(30(23)208324920)341622(31)272615197561021(19)24(32)33h57101520H248916H21H3(H2731)(H3233)b2615+
MFCD03222529
ZINC000009328178
ZINC15895097
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