Vitas-M small molecule compound
methyl 4-{(3E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK596072
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C30H23N3O7S2 MW 601.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O7S2/c1-38-28(37)19-9-7-18(8-10-19)24-23(25(34)20-11-12-21-22(15-20)40-14-13-39-21)26(35)27(36)33(24)29-31-32-30(42-29)41-16-17-5-3-2-4-6-17/h2-12,15,24,34H,13-14,16H2,1H3/b25-23+InChIKey
JLVZFHXBCIKDAN-WJTDDFOZSA-NSynonyms
620573-37-7620573377
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H23N3O7S2c13828(37)199718(81019)2423(25(34)2011122122(1520)4014133921)26(35)27(36)33(24)29313230(4229)4116175324617h212152434H131416H21H3b2523+
methyl4((3E)1(5(benzylsulfanyl)134thiadiazol2yl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(5BENZYLSULFANYL134THIADIAZOL2YL)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD07211037
ZINC000102619616
ZINC000102619625
Check stock
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Check stock on Vitas-MAvailable files
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