Vitas-M small molecule compound

(2E)-3-(2-chlorophenyl)-N-{[4-ethyl-5-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide

Catalog ID
STK137441
SMILES CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1C

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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 C23H24ClN5O2S MW 469.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5O2S/c1-3-29-20(14-25-21(30)13-12-17-9-5-6-10-18(17)24)27-28-23(29)32-15-22(31)26-19-11-7-4-8-16(19)2/h4-13H,3,14-15H2,1-2H3,(H,25,30)(H,26,31)/b13-12+
InChIKey
XMTVPUOJHADEAA-OUKQBFOZSA-N
Synonyms

(2E)3(2CHLOROPHENYL)N((4ETHYL5((2((2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)PROP2ENAMIDE
(E)3(2CHLOROPHENYL)N((4ETHYL5(2(2METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)PROP2ENAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)CNC(=O)C=CC3=CC=CC=C3Cl
CCn1c(CNC(=O)C=Cc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1C
InChI=1SC23H24ClN5O2Sc132920(142521(30)1312179561018(17)24)272823(29)321522(31)26191174816(19)2h413H31415H212H3(H2530)(H2631)b1312+
MFCD04341112
ZINC000009260389
ZINC09260389
ZINC9260389

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Available files

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