Vitas-M small molecule compound
ethyl (2Z)-2-benzylidene-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK808924
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C/c1ccccc1)/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)16-10-7-11-17(13-16)26(29)30)21(27)18(32-23)12-15-8-5-4-6-9-15/h4-13,20H,3H2,1-2H3/b18-12-InChIKey
JUTAKLXJWVZJLY-PDGQHHTCSA-NSynonyms
(E)ethyl2benzylidene7methyl5(3nitrophenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
2BENZYLIDENE5(3NITROPHENYL)3OXO7METHYL23DIHYDRO5HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=Cc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC4=CC=CC=C4)S2)C
ethyl(2Z)2benzylidene7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2BENZYLIDENE7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H19N3O5Sc133122(28)1914(2)242325(20(19)161071117(1316)26(29)30)21(27)18(3223)12158546915h41320H3H212H3b1812
MFCD01454733
ZINC000000829122
ZINC000000829124
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