Vitas-M small molecule compound
ethyl (2E)-7-methyl-5-(naphthalen-1-yl)-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK263900
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C\c1ccc[nH]1)/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 C25H21N3O3S MW 443.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O3S/c1-3-31-24(30)21-15(2)27-25-28(23(29)20(32-25)14-17-10-7-13-26-17)22(21)19-12-6-9-16-8-4-5-11-18(16)19/h4-14,22,26H,3H2,1-2H3/b20-14+InChIKey
ASHQADYPPBJUHX-XSFVSMFZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1ccc(nH)1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)C(=CC5=CC=CN5)S2)C
ETHYL(2E)7METHYL5(NAPHTHALEN1YL)3OXO2(1HPYRROL2YLMETHYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)7methyl5naphthalen1yl3oxo2(1Hpyrrol2ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL7METHYL5NAPHTHYL3OXO2(PYRROL2YLMETHYLENE)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21N3O3Sc133124(30)2115(2)272528(23(29)20(3225)1417107132617)22(21)191269168451118(16)19h4142226H3H212H3b2014+
MFCD06250323
ZINC000032581587
ZINC000032581589
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