Vitas-M small molecule compound
ethyl (2Z)-5-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL495644
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc3c(c1)OCCO3)/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 C25H21ClN2O5S MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5S/c1-3-31-24(30)21-14(2)27-25-28(22(21)16-6-4-5-7-17(16)26)23(29)20(34-25)13-15-8-9-18-19(12-15)33-11-10-32-18/h4-9,12-13,22H,3,10-11H2,1-2H3/b20-13-InChIKey
LWNTUSMHBKFZIX-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc3c(c1)OCCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC5=C(C=C4)OCCO5)S2)C
ethyl(2Z)5(2chlorophenyl)2(23dihydro14benzodioxin6ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)2(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2CHLOROPHENYL)2(23DIHYDRO14BENZODIOXIN6YLMETHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21ClN2O5Sc133124(30)2114(2)272528(22(21)16645717(16)26)23(29)20(3425)1315891819(1215)3311103218h49121322H31011H212H3b2013
MFCD02945833
ZINC000000654864
ZINC000000654868
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