Vitas-M small molecule compound

2-methylpropyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-(3-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK810415
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1cccc(c1)Cl)/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 C29H29ClN2O6S MW 569.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O6S/c1-6-36-23-14-20(10-11-22(23)38-18(5)33)26-25(28(35)37-15-16(2)3)17(4)31-29-32(26)27(34)24(39-29)13-19-8-7-9-21(30)12-19/h7-14,16,26H,6,15H2,1-5H3/b24-13+
InChIKey
ORALXIHTASUHPM-ZMOGYAJESA-N
Synonyms

2methylpropyl(2E)5(4(acetyloxy)3ethoxyphenyl)2(3chlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3ethoxyphenyl)2((3chlorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC=C4)Cl)S3)C)C(=O)OCC(C)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1cccc(c1)Cl)s2)C(=O)OCC(C)C
InChI=1SC29H29ClN2O6Sc1636231420(101122(23)3818(5)33)2625(28(35)371516(2)3)17(4)312932(26)27(34)24(3929)131987921(30)1219h7141626H615H215H3b2413+
MFCD03932942
ZINC000100840316
ZINC000100840317

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Available files

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