Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-ethylphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL049416
SMILES CCc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C29H23ClN2O4S MW 531.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O4S/c1-3-16-4-6-17(7-5-16)25-24(26(33)18-8-11-22-19(13-18)12-15(2)36-22)27(34)28(35)32(25)29-31-21-10-9-20(30)14-23(21)37-29/h4-11,13-15,25,33H,3,12H2,1-2H3/b26-24+InChIKey
IAHZHVVUXNSECS-SHHOIMCASA-NSynonyms
877797-83-6(4E)1(6chloro13benzothiazol2yl)5(4ethylphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877797836
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
CCc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC29H23ClN2O4Sc13164617(7516)2524(26(33)188112219(1318)1215(2)3622)27(34)28(35)32(25)29312110920(30)1423(21)3729h41113152533H312H212H3b2624+
MFCD05732479
ZINC000102885404
ZINC000102885411
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