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-propoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK883705
SMILES CCCOc1ccc(cc1OCC)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 C33H31N3O7S2 MW 645.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O7S2/c1-3-14-41-23-12-10-21(17-25(23)40-4-2)28-27(29(37)22-11-13-24-26(18-22)43-16-15-42-24)30(38)31(39)36(28)32-34-35-33(45-32)44-19-20-8-6-5-7-9-20/h5-13,17-18,28,38H,3-4,14-16,19H2,1-2H3InChIKey
JZMCWDYZGCHOLG-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxy4propoxyphenyl)3hydroxy15dihydro2Hpyrrol2one
1(5(benzylthio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxy4propoxyphenyl)3hydroxy1Hpyrrol2(5H)one
MFCD04554539
ZINC000097968023
ZINC000097968024
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