Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethanone
Catalog ID
STL140364
SMILES CN1CCN(CC1)C(=O)CSc1nnc(n1C(C)C)c1cc2c(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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c1-14(2)25-19(17-12-15-6-4-5-7-16(15)27-17)21-22-20(25)28-13-18(26)24-10-8-23(3)9-11-24/h4-7,12,14H,8-11,13H2,1-3H3InChIKey
IHFDEVGUZLDWBV-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(4methylpiperazin1yl)ethanone
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanyl)1(4methylpiperazin1yl)ethanone
CC(C)N1C(=NN=C1SCC(=O)N2CCN(CC2)C)C3=CC4=CC=CC=C4O3
InChI=1SC20H25N5O2Sc114(2)2519(171215645716(15)2717)212220(25)281318(26)2410823(3)91124h471214H81113H213H3
MFCD17011663
ZINC000048513831
ZINC48513831
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