Vitas-M small molecule compound
methyl 4-{(3E)-1-[5-(benzylsulfanyl)-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
STK568536
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)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 C31H25N3O6S2 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O6S2/c1-17-14-22-15-21(12-13-23(22)40-17)26(35)24-25(19-8-10-20(11-9-19)29(38)39-2)34(28(37)27(24)36)30-32-33-31(42-30)41-16-18-6-4-3-5-7-18/h3-13,15,17,25,35H,14,16H2,1-2H3/b26-24+InChIKey
WONYJSPSLHICTQ-SHHOIMCASA-NSynonyms
893697-64-8893697648
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H25N3O6S2c11714221521(121323(22)4017)26(35)2425(1981020(11919)29(38)392)34(28(37)27(24)36)30323331(4230)4116186435718h31315172535H1416H212H3b2624+
methyl4((3E)1(5(benzylsulfanyl)134thiadiazol2yl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(5BENZYLSULFANYL134THIADIAZOL2YL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD05734628
ZINC000102552785
ZINC000102652984
Check stock
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Check stock on Vitas-MAvailable files
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