Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[3-bromo-4-(prop-2-en-1-yloxy)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522654
SMILES C=CCOc1ccc(cc1Br)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc2c(c1)OCO2)C(=O)OCC)C
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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 C27H23BrN2O6S MW 583.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O6S/c1-4-10-34-19-8-6-16(11-18(19)28)12-22-25(31)30-24(17-7-9-20-21(13-17)36-14-35-20)23(26(32)33-5-2)15(3)29-27(30)37-22/h4,6-9,11-13,24H,1,5,10,14H2,2-3H3/b22-12-InChIKey
FBVDHMOZAJZAAW-UUYOSTAYSA-NSynonyms
C=CCOc1ccc(cc1Br)C=c1sc2=NC(=C(C(n2c1=O)c1ccc2c(c1)OCO2)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=C(C=C5)OCC=C)Br)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((3BROMO4PROP2ENOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(3bromo4(prop2en1yloxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H23BrN2O6Sc141034198616(1118(19)28)122225(31)3024(17792021(1317)36143520)23(26(32)3352)15(3)2927(30)3722h469111324H151014H223H3b2212
MFCD01593381
ZINC000100618794
ZINC000100618795
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