Vitas-M small molecule compound
2-[(4-methyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
Catalog ID
STK218637
SMILES CSc1ccccc1NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccc(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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-14-8-10-15(11-9-14)22-19(27)12-18-24-25-21(26(18)2)30-13-20(28)23-16-6-4-5-7-17(16)29-3/h4-11H,12-13H2,1-3H3,(H,22,27)(H,23,28)InChIKey
SOMSFTLYQUQUIY-UHFFFAOYSA-NSynonyms
2((4METHYL5(2((4METHYLPHENYL)AMINO)2OXOETHYL)4H124TRIAZOL3YL)SULFANYL)N(2(METHYLSULFANYL)PHENYL)ACETAMIDE
2(4METHYL5(2(2METHYLSULFANYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)N(4METHYLPHENYL)ACETAMIDE
CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3SC
InChI=1SC21H23N5O2S2c11481015(11914)2219(27)1218242521(26(18)2)301320(28)2316645717(16)293h411H1213H213H3(H2227)(H2328)
MFCD07399167
ZINC000009263242
ZINC09263242
ZINC9263242
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