Vitas-M small molecule compound
2-{(E)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STL148231
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)[O-])[nH+]nc1c1ccc(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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-3-26-19(15-10-8-14(2)9-11-15)24-25-21(26)30-13-18(27)23-22-12-16-6-4-5-7-17(16)20(28)29/h4-12H,3,13H2,1-2H3,(H,23,27)(H,28,29)/b22-12+InChIKey
WEACKOHHPGHEDA-WSDLNYQXSA-NSynonyms
497824-36-92((E)((2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((4ethyl5(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
497824369
CCn1c(SCC(=O)NN=Cc2ccccc2C(=O)(O))(nH+)nc1c1ccc(cc1)C
InChI=1SC21H21N5O3Sc132619(1510814(2)91115)242521(26)301318(27)23221216645717(16)20(28)29h412H313H212H3(H2327)(H2829)b2212+
MFCD03304911
ZINC000009359343
ZINC9763223
Check stock
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