Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(2-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799374
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccccc1Cl)/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 C28H27ClN2O6S MW 555.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O6S/c1-15(2)14-36-27(34)24-16(3)30-28-31(26(33)23(38-28)13-18-8-6-7-9-20(18)29)25(24)19-10-11-21(37-17(4)32)22(12-19)35-5/h6-13,15,25H,14H2,1-5H3/b23-13+InChIKey
FFEFQFYUUUQKRO-YDZHTSKRSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)2(2chlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)2((2chlorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3Cl)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(=Cc1ccccc1Cl)s2)C(=O)OCC(C)C
InChI=1SC28H27ClN2O6Sc115(2)143627(34)2416(3)302831(26(33)23(3828)1318867920(18)29)25(24)19101121(3717(4)32)22(1219)355h6131525H14H215H3b2313+
MFCD03418562
ZINC000100840049
ZINC000100840051
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