Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-[3-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908302
SMILES CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O)C
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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 C33H31N3O6S2 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O6S2/c1-20(2)13-14-40-24-10-6-9-22(17-24)28-27(29(37)23-11-12-25-26(18-23)42-16-15-41-25)30(38)31(39)36(28)32-34-35-33(44-32)43-19-21-7-4-3-5-8-21/h3-12,17-18,20,28,38H,13-16,19H2,1-2H3InChIKey
USAFZBKKCNZUCZ-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)3hydroxy5(3(3methylbutoxy)phenyl)15dihydro2Hpyrrol2one
1(5(benzylthio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)3hydroxy5(3(isopentyloxy)phenyl)1Hpyrrol2(5H)one
MFCD06285419
ZINC000097967857
ZINC000097967858
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