Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK861337
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)[N+](=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 C25H21N3O7S MW 507.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O7S/c1-4-34-24(31)21-14(2)26-25-27(22(21)17-7-11-19(12-8-17)35-15(3)29)23(30)20(36-25)13-16-5-9-18(10-6-16)28(32)33/h5-13,22H,4H2,1-3H3/b20-13+InChIKey
RPFFNWSPSWHVFV-DEDYPNTBSA-NSynonyms
(Z)ethyl5(4acetoxyphenyl)7methyl2(4nitrobenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S2)C
ethyl(2E)5(4(acetyloxy)phenyl)7methyl2(4nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxyphenyl)7methyl2((4nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H21N3O7Sc143424(31)2114(2)262527(22(21)1771119(12817)3515(3)29)23(30)20(3625)13165918(10616)28(32)33h51322H4H213H3b2013+
MFCD01458274
ZINC000033395970
ZINC000033395971
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