Vitas-M small molecule compound
1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-4-(thiophen-2-ylcarbonyl)-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK515983
SMILES COc1cc(cc(c1OC)OC)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=C1C(=O)c1cccs1)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 C27H22FN3O6S3 MW 599.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN3O6S3/c1-35-17-11-15(12-18(36-2)24(17)37-3)21-20(22(32)19-5-4-10-38-19)23(33)25(34)31(21)26-29-30-27(40-26)39-13-14-6-8-16(28)9-7-14/h4-12,21,33H,13H2,1-3H3InChIKey
WMXVZEMKHIKAIU-UHFFFAOYSA-NSynonyms
1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy4(thiophen2ylcarbonyl)5(345trimethoxyphenyl)15dihydro2Hpyrrol2one
1(5((4fluorophenyl)methylsulfanyl)134thiadiazol2yl)4hydroxy3(thiophene2carbonyl)2(345trimethoxyphenyl)2Hpyrrol5one
COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)F)O)C(=O)C5=CC=CS5
InChI=1SC27H22FN3O6S3c135171115(1218(362)24(17)373)2120(22(32)1954103819)23(33)25(34)31(21)26293027(4026)3913146816(28)9714h4122133H13H213H3
MFCD03522210
ZINC000098046852
ZINC000098046853
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