Vitas-M small molecule compound
ethyl (2E)-2-{3-[(furan-2-ylcarbonyl)oxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407026
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cccc(c1)OC(=O)c1ccco1)/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 C28H22N2O6S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6S/c1-3-34-27(33)23-17(2)29-28-30(24(23)19-10-5-4-6-11-19)25(31)22(37-28)16-18-9-7-12-20(15-18)36-26(32)21-13-8-14-35-21/h4-16,24H,3H2,1-2H3/b22-16+InChIKey
LVXSFNIBXHPJSK-CJLVFECKSA-NSynonyms
3((6(ETHOXYCARBONYL)7METHYL3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN2YLIDENE)METHYL)PHENYLFURAN2CARBOXYLATE
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cccc(c1)OC(=O)c1ccco1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=CC=C4)OC(=O)C5=CC=CO5)S2)C
ethyl(2E)2((3(furan2carbonyloxy)phenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(3((furan2ylcarbonyl)oxy)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(3(2FUROYLOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H22N2O6Sc133427(33)2317(2)292830(24(23)19105461119)25(31)22(3728)1618971220(1518)3626(32)21138143521h41624H3H212H3b2216+
MFCD01930002
ZINC000008401251
ZINC000008401254
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