Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL558419
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1ccc(o1)N1CCN(CC1)C)/s2)c1ccccc1
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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 C32H30N4O6S MW 598.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O6S/c1-3-39-31(38)27-28(20-7-5-4-6-8-20)33-32-36(29(27)21-9-11-23-24(17-21)41-19-40-23)30(37)25(43-32)18-22-10-12-26(42-22)35-15-13-34(2)14-16-35/h4-12,17-18,29H,3,13-16,19H2,1-2H3/b25-18+InChIKey
FNURAVWZLJEEFB-XIEYBQDHSA-NSynonyms
11839870
ethyl(2~(E))5(13benzodioxol5yl)2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo7phenyl5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(13benzodioxol5yl)2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H30N4O6Sc133931(38)2728(207546820)333236(29(27)219112324(1721)41194023)30(37)25(4332)1822101226(4222)35151334(2)141635h412171829H3131619H212H3b2518+
MFCD02952320
ZINC000008399855
ZINC000008399858
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