Vitas-M small molecule compound
methyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676381
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cc3OCOc3cc1Br)/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 C26H23BrN2O5S MW 555.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O5S/c1-13(2)15-5-7-16(8-6-15)23-22(25(31)32-4)14(3)28-26-29(23)24(30)21(35-26)10-17-9-19-20(11-18(17)27)34-12-33-19/h5-11,13,23H,12H2,1-4H3/b21-10-InChIKey
PMCHFVBNLUVJKW-FBHDLOMBSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3Br)OCO4)SC2=N1)C5=CC=C(C=C5)C(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cc3OCOc3cc1Br)s2
InChI=1SC26H23BrN2O5Sc113(2)155716(8615)2322(25(31)324)14(3)282629(23)24(30)21(3526)101791920(1118(17)27)34123319h5111323H12H214H3b2110
methyl(2Z)2((6bromo13benzodioxol5yl)methylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((6BROMO13BENZODIOXOL5YL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL2((6BROMO13BENZODIOXOL5YL)METHYLENE)5(4ISOPROPYLPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01872144
ZINC000002186267
ZINC000002186269
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