Vitas-M small molecule compound
ethyl (2Z)-2-(3-bromo-5-chloro-2-hydroxybenzylidene)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK025080
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cc(Cl)cc(c1O)Br)/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 C25H22BrClN2O5S MW 577.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrClN2O5S/c1-4-33-17-8-6-14(7-9-17)21-20(24(32)34-5-2)13(3)28-25-29(21)23(31)19(35-25)11-15-10-16(27)12-18(26)22(15)30/h6-12,21,30H,4-5H2,1-3H3/b19-11-InChIKey
NMJNRVDWGWKNFC-ODLFYWEKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cc(Cl)cc(c1O)Br)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC(=C4O)Br)Cl)S3)C)C(=O)OCC
ETHYL(2Z)2((3BROMO5CHLORO2HYDROXYPHENYL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(3BROMO5CHLORO2HYDROXYBENZYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H22BrClN2O5Sc1433178614(7917)2120(24(32)3452)13(3)282529(21)23(31)19(3525)11151016(27)1218(26)22(15)30h6122130H45H213H3b1911
MFCD05040384
STK025080
ZINC000002164009
ZINC000002164013
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.