Vitas-M small molecule compound
ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK113527
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)/c(=C/c1ccccc1Cl)/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 C24H20BrClN2O4S MW 547.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrClN2O4S/c1-4-32-23(30)20-13(2)27-24-28(21(20)15-9-10-18(31-3)16(25)11-15)22(29)19(33-24)12-14-7-5-6-8-17(14)26/h5-12,21H,4H2,1-3H3/b19-12-InChIKey
KRXRPMSHHFXEID-UNOMPAQXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)c(=Cc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)Br)C(=O)C(=CC4=CC=CC=C4Cl)S2)C
ETHYL(2Z)5(3BROMO4METHOXYPHENYL)2((2CHLOROPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(3BROMO4METHOXYPHENYL)2(2CHLOROBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H20BrClN2O4Sc143223(30)2013(2)272428(21(20)1591018(313)16(25)1115)22(29)19(3324)1214756817(14)26h51221H4H213H3b1912
MFCD04127617
ZINC000097959702
ZINC000097959703
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