Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Catalog ID
STL057063
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1nc2c(s1)cc(cc2)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 C27H21N3O4S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4S/c1-14-5-7-19-21(10-14)35-27(29-19)30-23(17-4-3-9-28-13-17)22(25(32)26(30)33)24(31)16-6-8-20-18(12-16)11-15(2)34-20/h3-10,12-13,15,23,31H,11H2,1-2H3/b24-22+InChIKey
NQEBRQKVMMTXFO-ZNTNEXAZSA-NSynonyms
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)5(pyridin3yl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5PYRIDIN3YLPYRROLIDINE23DIONE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CN=CC=C6)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccnc1)c1nc2c(s1)cc(cc2)C)O
InChI=1SC27H21N3O4Sc114571921(1014)3527(2919)3023(17439281317)22(25(32)26(30)33)24(31)16682018(1216)1115(2)3420h3101213152331H11H212H3b2422+
MFCD05734280
ZINC000102771471
ZINC000102771477
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