Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Catalog ID
STK581706
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1nnc(s1)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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-11-8-15-9-13(5-6-16(15)30-11)19(27)17-18(14-4-3-7-23-10-14)26(21(29)20(17)28)22-25-24-12(2)31-22/h3-7,9-11,18,27H,8H2,1-2H3/b19-17+InChIKey
FWQNXORLGXICFD-HTXNQAPBSA-NSynonyms
896818-27-2(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5methyl134thiadiazol2yl)5(pyridin3yl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5METHYL134THIADIAZOL2YL)5PYRIDIN3YLPYRROLIDINE23DIONE
896818272
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)C)C5=CN=CC=C5)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccnc1)c1nnc(s1)C)O
InChI=1SC22H18N4O4Sc111815913(5616(15)3011)19(27)1718(14437231014)26(21(29)20(17)28)22252412(2)3122h379111827H8H212H3b1917+
MFCD07199976
ZINC000102591625
ZINC000102666791
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