Vitas-M small molecule compound
ethyl (2Z)-2-(5-bromo-2-hydroxybenzylidene)-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK036405
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1cc(Br)ccc1O)/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 C26H25BrN2O5S MW 557.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O5S/c1-5-33-25(32)22-15(4)28-26-29(23(22)18-8-6-7-9-20(18)34-14(2)3)24(31)21(35-26)13-16-12-17(27)10-11-19(16)30/h6-14,23,30H,5H2,1-4H3/b21-13-InChIKey
QQDHLXWJRVETIM-BKUYFWCQSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1cc(Br)ccc1O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=C(C=CC(=C4)Br)O)S2)C
ETHYL(2Z)2((5BROMO2HYDROXYPHENYL)METHYLIDENE)7METHYL3OXO5(2PROPAN2YLOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(5BROMO2HYDROXYBENZYLIDENE)7METHYL3OXO5(2(PROPAN2YLOXY)PHENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H25BrN2O5Sc153325(32)2215(4)282629(23(22)18867920(18)3414(2)3)24(31)21(3526)13161217(27)101119(16)30h6142330H5H214H3b2113
MFCD03478393
STK036405
ZINC000100250881
ZINC000100250886
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