Vitas-M small molecule compound
prop-2-en-1-yl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798118
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cc(OC)c(c(c1)OC)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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-7-12-37-27(32)23-16(2)29-28-30(24(23)18-8-10-19(33-3)11-9-18)26(31)22(38-28)15-17-13-20(34-4)25(36-6)21(14-17)35-5/h7-11,13-15,24H,1,12H2,2-6H3/b22-15+InChIKey
KLLASRRJJCTJFJ-PXLXIMEGSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(OC)c(c(c1)OC)OC)s2
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OCC=C
InChI=1SC28H28N2O7Sc17123727(32)2316(2)292830(24(23)1881019(333)11918)26(31)22(3828)15171320(344)25(366)21(1417)355h711131524H112H226H3b2215+
MFCD03417351
prop2en1yl(2E)5(4methoxyphenyl)7methyl3oxo2(345trimethoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2E)5(4methoxyphenyl)7methyl3oxo2((345trimethoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100838285
ZINC000100838286
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