Vitas-M small molecule compound
2-methylpropyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(2,6-dichlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799376
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1c(Cl)cccc1Cl)/s2)C(=O)OCC(C)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 C28H26Cl2N2O6S MW 589.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N2O6S/c1-14(2)13-37-27(35)24-15(3)31-28-32(25(24)17-9-10-21(38-16(4)33)22(11-17)36-5)26(34)23(39-28)12-18-19(29)7-6-8-20(18)30/h6-12,14,25H,13H2,1-5H3/b23-12-InChIKey
BIHYBUZOKCBPLI-FMCGGJTJSA-NSynonyms
2methylpropyl(2Z)5(4(acetyloxy)3methoxyphenyl)2(26dichlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)2((26DICHLOROPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)Cl)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1c(Cl)cccc1Cl)s2)C(=O)OCC(C)C
InChI=1SC28H26Cl2N2O6Sc114(2)133727(35)2415(3)312832(25(24)1791021(3816(4)33)22(1117)365)26(34)23(3928)121819(29)76820(18)30h6121425H13H215H3b2312
MFCD03462415
ZINC000002672108
ZINC000002672110
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.