Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK297343
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1ccc2c(c1)OCO2
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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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-2-28-22(17-8-9-19-20(14-17)31-16-30-19)24-25-23(28)32-15-21(29)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-9,14H,2,10-13,15-16H2,1H3InChIKey
IJYNNUXVSKHWEX-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4ethyl124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
2((5(13benzodioxol5yl)4ethyl4H124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
2(5BENZO(13)DIOXOL5YL4ETHYL4H(124)TRIAZOL3YLSULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI=1SC23H25N5O3Sc122822(17891920(1417)31163019)242523(28)321521(29)27121026(111327)186435718h3914H210131516H21H3
MFCD09960926
ZINC000013956283
ZINC13956283
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