Vitas-M small molecule compound
ethyl (2Z)-5-(2-methoxyphenyl)-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL436531
SMILES CCCC1=C(C(=O)OCC)C(n2c(=N1)s/c(=C\c1ccc(o1)N1CCN(CC1)C)/c2=O)c1ccccc1OC
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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 C29H34N4O5S MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O5S/c1-5-9-21-25(28(35)37-6-2)26(20-10-7-8-11-22(20)36-4)33-27(34)23(39-29(33)30-21)18-19-12-13-24(38-19)32-16-14-31(3)15-17-32/h7-8,10-13,18,26H,5-6,9,14-17H2,1-4H3/b23-18-InChIKey
OEWUZHLXJBVKDD-NKFKGCMQSA-NSynonyms
CCCC1=C(C(=O)OCC)C(n2c(=N1)sc(=Cc1ccc(o1)N1CCN(CC1)C)c2=O)c1ccccc1OC
CCCC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCN(CC4)C)SC2=N1)C5=CC=CC=C5OC)C(=O)OCC
ethyl(2Z)5(2methoxyphenyl)2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo7propyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2METHOXYPHENYL)2((5(4METHYLPIPERAZIN1YL)FURAN2YL)METHYLIDENE)3OXO7PROPYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H34N4O5Sc1592125(28(35)3762)26(2010781122(20)364)3327(34)23(3929(33)3021)1819121324(3819)32161431(3)151732h7810131826H5691417H214H3b2318
MFCD30711987
ZINC000103708784
ZINC000103708788
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