Vitas-M small molecule compound
ethyl (2Z)-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2-(pyridin-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL444644
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1ccccn1)/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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-5-31-24(30)21-16(4)27-25-28(22(21)18-11-6-7-12-19(18)32-15(2)3)23(29)20(33-25)14-17-10-8-9-13-26-17/h6-15,22H,5H2,1-4H3/b20-14-InChIKey
BOWOXVCGWUSGBL-ZHZULCJRSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1ccccn1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=CC=CC=N4)S2)C
ethyl(2Z)7methyl3oxo5(2(propan2yloxy)phenyl)2(pyridin2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL3OXO5(2PROPAN2YLOXYPHENYL)2(PYRIDIN2YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H25N3O4Sc153124(30)2116(4)272528(22(21)1811671219(18)3215(2)3)23(29)20(3325)14171089132617h61522H5H214H3b2014
MFCD03166976
ZINC000008756538
ZINC000008756540
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