Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908310
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O
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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 C35H35N3O7S2 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O7S2/c1-4-42-27-18-23(10-12-25(27)43-15-14-21(2)3)30-29(31(39)24-11-13-26-28(19-24)45-17-16-44-26)32(40)33(41)38(30)34-36-37-35(47-34)46-20-22-8-6-5-7-9-22/h5-13,18-19,21,30,40H,4,14-17,20H2,1-3H3InChIKey
QGCRIZAFTMFGDU-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxy4(3methylbutoxy)phenyl)3hydroxy15dihydro2Hpyrrol2one
1(5(benzylthio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxy4(isopentyloxy)phenyl)3hydroxy1Hpyrrol2(5H)one
MFCD04538569
ZINC000097968042
ZINC000097968043
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