Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Catalog ID
STL042886
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccnc1
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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 C27H21N3O5S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5S/c1-14-10-17-11-15(5-8-20(17)35-14)24(31)22-23(16-4-3-9-28-13-16)30(26(33)25(22)32)27-29-19-7-6-18(34-2)12-21(19)36-27/h3-9,11-14,23,31H,10H2,1-2H3/b24-22+InChIKey
TUUHDGFUCYALJF-ZNTNEXAZSA-NSynonyms
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(pyridin3yl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)5PYRIDIN3YLPYRROLIDINE23DIONE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CN=CC=C6)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccnc1
InChI=1SC27H21N3O5Sc11410171115(5820(17)3514)24(31)2223(16439281316)30(26(33)25(22)32)2729197618(342)1221(19)3627h3911142331H10H212H3b2422+
MFCD05724638
ZINC000102871951
ZINC000102871965
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