Vitas-M small molecule compound
2-methylpropyl (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
STK798684
SMILES COc1ccc(cc1/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(C)C)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 C25H26N2O5S2 MW 498.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5S2/c1-14(2)13-32-24(29)21-15(3)26-25-27(22(21)19-7-6-10-33-19)23(28)20(34-25)12-16-11-17(30-4)8-9-18(16)31-5/h6-12,14,22H,13H2,1-5H3/b20-12+InChIKey
GUJXOZSCNBZAIK-UDWIEESQSA-NSynonyms
2methylpropyl(2E)2((25dimethoxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)2(25dimethoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)OC)OC)SC2=N1)C4=CC=CS4)C(=O)OCC(C)C
COc1ccc(cc1C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(C)C)C)OC
InChI=1SC25H26N2O5S2c114(2)133224(29)2115(3)262527(22(21)1976103319)23(28)20(3425)12161117(304)8918(16)315h6121422H13H215H3b2012+
MFCD03417778
ZINC000016700387
ZINC000016700389
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