Vitas-M small molecule compound
ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797812
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)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 C29H32N2O5S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5S/c1-5-7-8-17-36-23-13-9-20(10-14-23)18-24-27(32)31-26(21-11-15-22(34-4)16-12-21)25(28(33)35-6-2)19(3)30-29(31)37-24/h9-16,18,26H,5-8,17H2,1-4H3/b24-18+InChIKey
NFYVSOMCOBVWQZ-HKOYGPOVSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C
ETHYL(2E)5(4METHOXYPHENYL)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(4methoxyphenyl)7methyl3oxo2(4(pentyloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H32N2O5Sc157817362313920(101423)182427(32)3126(21111522(344)161221)25(28(33)3562)19(3)3029(31)3724h9161826H5817H214H3b2418+
MFCD03417180
ZINC000016699937
ZINC000016699939
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