Vitas-M small molecule compound
methyl (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
STK798185
SMILES COC(=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 C29H31N3O6S MW 549.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O6S/c1-7-31(8-2)21-12-9-19(10-13-21)15-24-27(34)32-26(25(28(35)37-6)17(3)30-29(32)39-24)20-11-14-22(38-18(4)33)23(16-20)36-5/h9-16,26H,7-8H2,1-6H3/b24-15+InChIKey
BERCZVHMOVZQTL-BUVRLJJBSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC(=C(C=C4)OC(=O)C)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)N(CC)CC)s2
InChI=1SC29H31N3O6Sc1731(82)2112919(101321)152427(34)3226(25(28(35)376)17(3)3029(32)3924)20111422(3818(4)33)23(1620)365h91626H78H216H3b2415+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4(diethylamino)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)2((4(DIETHYLAMINO)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03417586
ZINC000100838382
ZINC000100838384
Check stock
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Check stock on Vitas-MAvailable files
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