Vitas-M small molecule compound
ethyl (2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674435
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cc(OC)c(c(c1)[N+](=O)[O-])O)/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 C25H23N3O8S MW 525.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O8S/c1-5-36-24(31)20-13(2)26-25-27(21(20)15-6-8-16(34-3)9-7-15)23(30)19(37-25)12-14-10-17(28(32)33)22(29)18(11-14)35-4/h6-12,21,29H,5H2,1-4H3/b19-12+InChIKey
UJZPOFAPDJBVQD-XDHOZWIPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(OC)c(c(c1)(N+)(=O)(O))O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))S2)C
ETHYL(2E)2((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)2(4HYDROXY3METHOXY5NITROBENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H23N3O8Sc153624(31)2013(2)262527(21(20)156816(343)9715)23(30)19(3725)12141017(28(32)33)22(29)18(1114)354h6122129H5H214H3b1912+
MFCD01155095
ZINC000100067632
ZINC000100067635
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