Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(3-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798554
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1cccc(c1)OC)/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 C27H26N2O7S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7S/c1-6-35-26(32)23-15(2)28-27-29(24(23)18-10-11-20(36-16(3)30)21(14-18)34-5)25(31)22(37-27)13-17-8-7-9-19(12-17)33-4/h7-14,24H,6H2,1-5H3/b22-13+InChIKey
SADYBNWTXQYPHK-LPYMAVHISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cccc(c1)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC(=CC=C4)OC)S2)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)2(3methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3methoxyphenyl)2((3methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N2O7Sc163526(32)2315(2)282729(24(23)18101120(3616(3)30)21(1418)345)25(31)22(3727)131787919(1217)334h71424H6H215H3b2213+
MFCD03417754
ZINC000016700355
ZINC000016700358
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