Vitas-M small molecule compound
methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK861891
SMILES COC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1ccc3c(c1)OCO3)/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 C25H20N2O5S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5S/c1-15-22(24(29)30-2)18(10-8-16-6-4-3-5-7-16)27-23(28)21(33-25(27)26-15)13-17-9-11-19-20(12-17)32-14-31-19/h3-13,18H,14H2,1-2H3/b10-8+,21-13+InChIKey
RMILWRPAXUMSNP-ZISVETFJSA-NSynonyms
(Z)methyl2(benzo(d)(13)dioxol5ylmethylene)7methyl3oxo5((E)styryl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C=CC5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1C=Cc1ccccc1)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
InChI=1SC25H20N2O5Sc11522(24(29)302)18(108166435716)2723(28)21(3325(27)2615)13179111920(1217)32143119h31318H14H212H3b108+2113+
methyl(2E)2(13benzodioxol5ylmethylidene)7methyl3oxo5((E)2phenylethenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(13benzodioxol5ylmethylidene)7methyl3oxo5((E)2phenylethenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(2H13BENZODIOXOL5YLMETHYLIDENE)7METHYL3OXO5((E)2PHENYLETHENYL)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
MFCD00721512
ZINC000008915399
ZINC000008915401
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Check stock on Vitas-MAvailable files
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