Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800313
SMILES Cc1ccc(cc1)CSc1nnc(s1)N1C(c2cccs2)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 C27H19N3O4S3 MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O4S3/c1-15-8-10-16(11-9-15)14-36-27-29-28-26(37-27)30-22(20-7-4-12-35-20)21(24(32)25(30)33)23(31)19-13-17-5-2-3-6-18(17)34-19/h2-13,22,32H,14H2,1H3InChIKey
OEDOEQHUEWENLO-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2THIOPHEN2YL2HPYRROL5ONE
4(1BENZOFURAN2YLCARBONYL)3HYDROXY1(5((4METHYLBENZYL)SULFANYL)134THIADIAZOL2YL)5(2THIENYL)15DIHYDRO2HPYRROL2ONE
4(1benzofuran2ylcarbonyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(thiophen2yl)15dihydro2Hpyrrol2one
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=CS6
InChI=1SC27H19N3O4S3c11581016(11915)143627292826(3727)3022(2074123520)21(24(32)25(30)33)23(31)191317523618(17)3419h2132232H14H21H3
MFCD04148016
ZINC000008383964
ZINC000008383967
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