Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800557
SMILES C=CCOc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=C1C(=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 C31H22FN3O5S2 MW 599.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22FN3O5S2/c1-2-15-39-21-13-11-18(12-14-21)26-25(27(36)24-16-19-7-4-6-10-23(19)40-24)28(37)29(38)35(26)30-33-34-31(42-30)41-17-20-8-3-5-9-22(20)32/h2-14,16,26,37H,1,15,17H2InChIKey
PXWMTOTTXILKTE-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(4PROP2ENOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(4(prop2en1yloxy)phenyl)15dihydro2Hpyrrol2one
C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC31H22FN3O5S2c12153921131118(121421)2625(27(36)2416197461023(19)4024)28(37)29(38)35(26)30333431(4230)411720835922(20)32h214162637H11517H2
MFCD04148004
ZINC000098046541
ZINC000098046542
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