Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3,4-dichlorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800524
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1ccccc1Cl)c1ccc(c(c1)Cl)Cl)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 C28H16Cl3N3O4S2 MW 628.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H16Cl3N3O4S2/c29-17-7-3-1-6-16(17)13-39-28-33-32-27(40-28)34-23(15-9-10-18(30)19(31)11-15)22(25(36)26(34)37)24(35)21-12-14-5-2-4-8-20(14)38-21/h1-12,23,36H,13H2InChIKey
QNERLTIGPVOALI-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2(34DICHLOROPHENYL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5(34dichlorophenyl)3hydroxy15dihydro2Hpyrrol2one
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC(=C(C=C4)Cl)Cl)C5=NN=C(S5)SCC6=CC=CC=C6Cl)O
InChI=1SC28H16Cl3N3O4S2c2917731616(17)133928333227(4028)3423(1591018(30)19(31)1115)22(25(36)26(34)37)24(35)211214524820(14)3821h1122336H13H2
MFCD04148029
ZINC000008384055
ZINC000008384058
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