Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Catalog ID
STL053263
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)Cl)/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 C28H21ClN2O4S MW 517.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O4S/c1-14-3-5-16(6-4-14)24-23(25(32)17-7-10-21-18(12-17)11-15(2)35-21)26(33)27(34)31(24)28-30-20-9-8-19(29)13-22(20)36-28/h3-10,12-13,15,24,32H,11H2,1-2H3/b25-23+InChIKey
VJMSMBROSDCHSE-WJTDDFOZSA-NSynonyms
877799-49-0(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methylphenyl)pyrrolidine23dione
877799490
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC=C(C=C6)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)Cl)O
InChI=1SC28H21ClN2O4Sc1143516(6414)2423(25(32)177102118(1217)1115(2)3521)26(33)27(34)31(24)2830209819(29)1322(20)3628h3101213152432H11H212H3b2523+
MFCD05731823
ZINC000102771011
ZINC000102771016
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