Vitas-M small molecule compound
1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(3-fluoro-4-methoxyphenyl)carbonyl]-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK814827
SMILES COc1ccc(cc1F)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nnc(s1)SCc1ccccc1Cl
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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 C27H18ClFN4O6S2 MW 613.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClFN4O6S2/c1-39-20-11-8-15(12-19(20)29)23(34)21-22(14-6-9-17(10-7-14)33(37)38)32(25(36)24(21)35)26-30-31-27(41-26)40-13-16-4-2-3-5-18(16)28/h2-12,22,35H,13H2,1H3InChIKey
QETLVDXQCGNAFE-UHFFFAOYSA-NSynonyms
1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4((3fluoro4methoxyphenyl)carbonyl)3hydroxy5(4nitrophenyl)15dihydro2Hpyrrol2one
COc1ccc(cc1F)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nnc(s1)SCc1ccccc1Cl
MFCD04442339
ZINC000098046500
ZINC000098046501
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