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-ethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908303
SMILES CCOc1cccc(c1)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 C30H25N3O6S2 MW 587.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6S2/c1-2-37-21-10-6-9-19(15-21)25-24(26(34)20-11-12-22-23(16-20)39-14-13-38-22)27(35)28(36)33(25)29-31-32-30(41-29)40-17-18-7-4-3-5-8-18/h3-12,15-16,25,35H,2,13-14,17H2,1H3InChIKey
SITBMWRFEJMDPY-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxyphenyl)3hydroxy15dihydro2Hpyrrol2one
1(5(benzylthio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxyphenyl)3hydroxy1Hpyrrol2(5H)one
MFCD04030777
ZINC000097968076
ZINC000097968077
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