Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL053918
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)Cl
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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 C28H21ClN2O5S MW 533.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O5S/c1-14-10-17-11-16(6-9-21(17)36-14)25(32)23-24(15-4-3-5-18(29)12-15)31(27(34)26(23)33)28-30-20-8-7-19(35-2)13-22(20)37-28/h3-9,11-14,24,32H,10H2,1-2H3/b25-23+InChIKey
IVCUMHFCTVAFEW-WJTDDFOZSA-NSynonyms
877788-75-5(4E)5(3chlorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
877788755
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC(=CC=C6)Cl)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)Cl
InChI=1SC28H21ClN2O5Sc11410171116(6921(17)3614)25(32)2324(1543518(29)1215)31(27(34)26(23)33)2830208719(352)1322(20)3728h3911142432H10H212H3b2523+
MFCD05725726
ZINC000102891992
ZINC000102891998
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