Vitas-M small molecule compound
ethyl (2Z)-2-(3-bromo-5-ethoxy-4-methoxybenzylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK047827
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1cc(Br)c(c(c1)OCC)OC)/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 C27H27BrN2O5S2 MW 603.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O5S2/c1-6-34-20-13-16(12-19(28)24(20)33-4)14-21-25(31)30-23(17-8-10-18(36-5)11-9-17)22(26(32)35-7-2)15(3)29-27(30)37-21/h8-14,23H,6-7H2,1-5H3/b21-14-InChIKey
DDAUYUYFORRXHF-STZFKDTASA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1cc(Br)c(c(c1)OCC)OC)s2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)SC)Br)OC
ETHYL(2Z)2((3BROMO5ETHOXY4METHOXYPHENYL)METHYLIDENE)7METHYL5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(3BROMO5ETHOXY4METHOXYBENZYLIDENE)7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H27BrN2O5S2c1634201316(1219(28)24(20)334)142125(31)3023(1781018(365)11917)22(26(32)3572)15(3)2927(30)3721h81423H67H215H3b2114
MFCD03032479
STK047827
ZINC000097958633
ZINC000097958634
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