Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK591558
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)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 C31H24FN3O6S2 MW 617.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24FN3O6S2/c1-2-12-39-22-5-3-4-19(15-22)26-25(27(36)20-8-11-23-24(16-20)41-14-13-40-23)28(37)29(38)35(26)30-33-34-31(43-30)42-17-18-6-9-21(32)10-7-18/h2-11,15-16,26,36H,1,12-14,17H2/b27-25+InChIKey
RUCPSDDNCMCQQJ-IMVLJIQESA-NSynonyms
620579-50-2(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
620579502
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)F
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC31H24FN3O6S2c1212392253419(1522)2625(27(36)208112324(1620)4114134023)28(37)29(38)35(26)30333431(4330)4217186921(32)10718h21115162636H1121417H2b2725+
MFCD07208261
ZINC000101316864
ZINC000101316866
Check stock
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Check stock on Vitas-MAvailable files
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