Vitas-M small molecule compound
ethyl (2Z)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK831871
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)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 C23H19N3O5S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S/c1-3-31-22(28)19-14(2)24-23-25(20(19)16-7-5-4-6-8-16)21(27)18(32-23)13-15-9-11-17(12-10-15)26(29)30/h4-13,20H,3H2,1-2H3/b18-13-InChIKey
KWUSZXZOCHIGJF-AQTBWJFISA-NSynonyms
(E)ethyl7methyl2(4nitrobenzylidene)3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S2)C
ETHYL(2Z)7METHYL2((4NITROPHENYL)METHYLIDENE)3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)7methyl2(4nitrobenzylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H19N3O5Sc133122(28)1914(2)242325(20(19)167546816)21(27)18(3223)131591117(121015)26(29)30h41320H3H212H3b1813
MFCD01454388
ZINC000000861865
ZINC000000861867
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