Vitas-M small molecule compound
5-[4-(benzyloxy)-3-ethoxyphenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK907888
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C37H31N3O7S2 MW 693.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O7S2/c1-2-44-29-19-25(13-15-28(29)47-21-23-9-5-3-6-10-23)32-31(33(41)26-14-16-27-30(20-26)46-18-17-45-27)34(42)35(43)40(32)36-38-39-37(49-36)48-22-24-11-7-4-8-12-24/h3-16,19-20,32,42H,2,17-18,21-22H2,1H3InChIKey
NXCVWUZIHWXKHL-UHFFFAOYSA-NSynonyms
5(4(benzyloxy)3ethoxyphenyl)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)3hydroxy15dihydro2Hpyrrol2one
5(4(benzyloxy)3ethoxyphenyl)1(5(benzylthio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)3hydroxy1Hpyrrol2(5H)one
MFCD04483167
ZINC000097967853
ZINC000097967854
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