Vitas-M small molecule compound
ethyl (2Z)-2-{[5-(dimethylamino)furan-2-yl]methylidene}-5-(4-ethoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK381139
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(o1)N(C)C)/s2)c1ccccc1
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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 C30H29N3O5S MW 543.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5S/c1-5-36-21-14-12-20(13-15-21)27-25(29(35)37-6-2)26(19-10-8-7-9-11-19)31-30-33(27)28(34)23(39-30)18-22-16-17-24(38-22)32(3)4/h7-18,27H,5-6H2,1-4H3/b23-18-InChIKey
STDWNXBKNSABNO-NKFKGCMQSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(o1)N(C)C)s2)c1ccccc1
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(O4)N(C)C)S3)C5=CC=CC=C5)C(=O)OCC
ethyl(2Z)2((5(dimethylamino)furan2yl)methylidene)5(4ethoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5(DIMETHYLAMINO)FURAN2YL)METHYLIDENE)5(4ETHOXYPHENYL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H29N3O5Sc153621141220(131521)2725(29(35)3762)26(19108791119)313033(27)28(34)23(3930)1822161724(3822)32(3)4h71827H56H214H3b2318
MFCD02603591
ZINC000097963015
ZINC000097963016
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