Vitas-M small molecule compound
(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK574877
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccccc1Cl)/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 C29H21ClFN3O4S2 MW 594.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClFN3O4S2/c1-15-12-18-13-16(10-11-22(18)38-15)25(35)23-24(19-7-3-5-9-21(19)31)34(27(37)26(23)36)28-32-33-29(40-28)39-14-17-6-2-4-8-20(17)30/h2-11,13,15,24,35H,12,14H2,1H3/b25-23+InChIKey
RKHMZLNNNWTEFP-WJTDDFOZSA-NSynonyms
897835-46-0(4E)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835460
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5Cl)C6=CC=CC=C6F)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)SCc1ccccc1Cl)O
InChI=1SC29H21ClFN3O4S2c11512181316(101122(18)3815)25(35)2324(19735921(19)31)34(27(37)26(23)36)28323329(4028)391417624820(17)30h21113152435H1214H21H3b2523+
MFCD07202517
ZINC000102575845
ZINC000102660273
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