Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Catalog ID
STL364225
SMILES C=CCn1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1c1cc2c(o1)cccc2
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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 C23H22N4O2S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S/c1-4-9-27-22(20-13-17-7-5-6-8-19(17)29-20)25-26-23(27)30-14-21(28)24-18-11-15(2)10-16(3)12-18/h4-8,10-13H,1,9,14H2,2-3H3,(H,24,28)InChIKey
ZYDJHAUGXAFCJC-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(35dimethylphenyl)acetamide
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)N(35dimethylphenyl)acetamide
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3)C
InChI=1SC23H22N4O2Sc1492722(201317756819(17)2920)252623(27)301421(28)24181115(2)1016(3)1218h481013H1914H223H3(H2428)
MFCD04378710
ZINC000006456608
ZINC06456608
ZINC6456608
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