Vitas-M small molecule compound
methyl 4-{(3E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL055178
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C31H24ClN3O6S2 MW 634.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24ClN3O6S2/c1-16-13-21-14-20(9-12-23(21)41-16)26(36)24-25(18-5-7-19(8-6-18)29(39)40-2)35(28(38)27(24)37)30-33-34-31(43-30)42-15-17-3-10-22(32)11-4-17/h3-12,14,16,25,36H,13,15H2,1-2H3/b26-24+InChIKey
YOQFDFNZDWOERT-SHHOIMCASA-NSynonyms
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)Cl)C6=CC=C(C=C6)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H24ClN3O6S2c11613211420(91223(21)4116)26(36)2425(185719(8618)29(39)402)35(28(38)27(24)37)30333431(4330)42151731022(32)11417h31214162536H1315H212H3b2624+
methyl4((3E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD05730044
ZINC000150426351
ZINC000150426366
Check stock
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Check stock on Vitas-MAvailable files
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