Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799584
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1ccccc1)c1ccccc1)C(=O)c1cc2c(o1)cccc2)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 C28H19N3O4S2 MW 525.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O4S2/c32-24(21-15-19-13-7-8-14-20(19)35-21)22-23(18-11-5-2-6-12-18)31(26(34)25(22)33)27-29-30-28(37-27)36-16-17-9-3-1-4-10-17/h1-15,23,33H,16H2InChIKey
GABZBWAMDYUSHL-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)4HYDROXY2PHENYL2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)3hydroxy5phenyl15dihydro2Hpyrrol2one
C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C6
InChI=1SC28H19N3O4S2c3224(21151913781420(19)3521)2223(18115261218)31(26(34)25(22)33)27293028(3727)36161793141017h1152333H16H2
MFCD04088538
ZINC000008441204
ZINC000008441206
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