Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[4-(diethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK726638
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)N(CC)CC)/s2
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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 C30H33N3O6S MW 563.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O6S/c1-7-32(8-2)22-13-10-20(11-14-22)16-25-28(35)33-27(21-12-15-23(39-19(5)34)24(17-21)37-6)26(29(36)38-9-3)18(4)31-30(33)40-25/h10-17,27H,7-9H2,1-6H3/b25-16+InChIKey
NLCDXKIMSUKZBC-PCLIKHOPSA-NSynonyms
(E)ethyl5(4acetoxy3methoxyphenyl)2(4(diethylamino)benzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=C(C=C4)OC(=O)C)OC
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)N(CC)CC)s2
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4(diethylamino)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)2((4(DIETHYLAMINO)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(ACETYLOXY)3METHOXYPHENYL)2(4(DIETHYLAMINO)BENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H33N3O6Sc1732(82)22131020(111422)162528(35)3327(21121523(3919(5)34)24(1721)376)26(29(36)3893)18(4)3130(33)4025h101727H79H216H3b2516+
MFCD01162914
ZINC000002059852
ZINC000002059854
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