Vitas-M small molecule compound
prop-2-en-1-yl (2E)-2-(4-butoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797831
SMILES CCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)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 C29H30N2O5S MW 518.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5S/c1-5-7-17-35-23-12-8-20(9-13-23)18-24-27(32)31-26(21-10-14-22(34-4)15-11-21)25(28(33)36-16-6-2)19(3)30-29(31)37-24/h6,8-15,18,26H,2,5,7,16-17H2,1,3-4H3/b24-18+InChIKey
WYJYINYZIPIHDL-HKOYGPOVSA-NSynonyms
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC=C)C4=CC=C(C=C4)OC
CCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=C)C
InChI=1SC29H30N2O5Sc15717352312820(91323)182427(32)3126(21101422(344)151121)25(28(33)361662)19(3)3029(31)3724h68151826H2571617H2134H3b2418+
MFCD03417194
prop2en1yl(2E)2(4butoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2E)2((4BUTOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000026687505
ZINC000026687507
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