Vitas-M small molecule compound
ethyl (2E)-2-[4-(acetyloxy)-3-methoxybenzylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK815785
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1ccc(c(c1)OC)OC(=O)C)/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)18-9-7-8-10-19(18)33-4)25(31)22(37-27)14-17-11-12-20(36-16(3)30)21(13-17)34-5/h7-14,24H,6H2,1-5H3/b22-14+InChIKey
BIFPIFLIZPBHNY-HYARGMPZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1ccc(c(c1)OC)OC(=O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OC)S2)C
ethyl(2E)2((4acetyloxy3methoxyphenyl)methylidene)5(2methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(4(acetyloxy)3methoxybenzylidene)5(2methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N2O7Sc163526(32)2315(2)282729(24(23)189781019(18)334)25(31)22(3727)1417111220(3616(3)30)21(1317)345h71424H6H215H3b2214+
MFCD06642667
ZINC000016732789
ZINC000016732792
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