Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK704412
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(cc1)C(C)(C)C)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 C36H29N3O4S2 MW 631.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O4S2/c1-36(2,3)25-17-15-22(16-18-25)30-29(31(40)28-19-23-10-5-7-14-27(23)43-28)32(41)33(42)39(30)34-37-38-35(45-34)44-20-24-12-8-11-21-9-4-6-13-26(21)24/h4-19,30,41H,20H2,1-3H3InChIKey
PIAVIMXJHAWGDP-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4TERTBUTYLPHENYL)4HYDROXY1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1BENZOFURAN2YLCARBONYL)5(4TERTBUTYLPHENYL)3HYDROXY1(5((1NAPHTHYLMETHYL)SULFANYL)134THIADIAZOL2YL)15DIHYDRO2HPYRROL2ONE
4(1benzofuran2ylcarbonyl)5(4tertbutylphenyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54)O)C(=O)C6=CC7=CC=CC=C7O6
InChI=1SC36H29N3O4S2c136(23)25171522(161825)3029(31(40)28192310571427(23)4328)32(41)33(42)39(30)34373835(4534)44202412811219461326(21)24h4193041H20H213H3
MFCD03861519
ZINC000008441780
ZINC000008441782
Check stock
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Check stock on Vitas-MAvailable files
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