Vitas-M small molecule compound
methyl (2E)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK812909
SMILES CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\C=C\c1ccccc1)/s2)C(=O)OC
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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 C26H24N2O4S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O4S/c1-4-32-20-15-13-19(14-16-20)23-22(25(30)31-3)17(2)27-26-28(23)24(29)21(33-26)12-8-11-18-9-6-5-7-10-18/h5-16,23H,4H2,1-3H3/b11-8+,21-12+InChIKey
RGKPELITJBXXLR-GIDSKACHSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC=CC4=CC=CC=C4)S3)C)C(=O)OC
CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=CC=Cc1ccccc1)s2)C(=O)OC
InChI=1SC26H24N2O4Sc143220151319(141620)2322(25(30)313)17(2)272628(23)24(29)21(3326)128111896571018h51623H4H213H3b118+2112+
methyl(2E)5(4ethoxyphenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4ETHOXYPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD06265091
ZINC000016729292
ZINC000016729295
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