Vitas-M small molecule compound

methyl (2E)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK797970
SMILES COc1ccc(c(c1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C)OC

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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 C22H20N2O5S2 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S2/c1-12-18(21(26)29-4)19(16-6-5-9-30-16)24-20(25)17(31-22(24)23-12)11-13-10-14(27-2)7-8-15(13)28-3/h5-11,19H,1-4H3/b17-11+
InChIKey
ZKQNHNBKELPDCS-GZTJUZNOSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)OC)OC)SC2=N1)C4=CC=CS4)C(=O)OC
COc1ccc(c(c1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C)OC
InChI=1SC22H20N2O5S2c11218(21(26)294)19(166593016)2420(25)17(3122(24)2312)11131014(272)7815(13)283h51119H14H3b1711+
methyl(2E)2((25dimethoxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(25dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417313
ZINC000016700088
ZINC000016700090

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Available files

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