Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800311
SMILES Cc1ccc(cc1)CSc1nnc(s1)N1C(c2ccccc2)C(=C(C1=O)O)C(=O)c1cc2c(o1)cccc2
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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 C29H21N3O4S2 MW 539.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O4S2/c1-17-11-13-18(14-12-17)16-37-29-31-30-28(38-29)32-24(19-7-3-2-4-8-19)23(26(34)27(32)35)25(33)22-15-20-9-5-6-10-21(20)36-22/h2-15,24,34H,16H2,1H3InChIKey
HHGFSNOAYADHDT-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2PHENYL2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5phenyl15dihydro2Hpyrrol2one
CC1=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=1SC29H21N3O4S2c117111318(141217)163729313028(3829)3224(197324819)23(26(34)27(32)35)25(33)2215209561021(20)3622h2152434H16H21H3
MFCD04147959
ZINC000008441272
ZINC000008441278
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