Vitas-M small molecule compound
benzyl 2,7-dimethyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK705830
SMILES CC1SC2=NC(=C(C(N2C1=O)c1ccccc1[N+](=O)[O-])C(=O)OCc1ccccc1)C
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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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-13-18(21(27)30-12-15-8-4-3-5-9-15)19(16-10-6-7-11-17(16)25(28)29)24-20(26)14(2)31-22(24)23-13/h3-11,14,19H,12H2,1-2H3InChIKey
DNWXTKUEXRAZRK-UHFFFAOYSA-NSynonyms
620552-58-1620552581
benzyl27dimethyl5(2nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL27DIMETHYL5(2NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4(N+)(=O)(O)
CC1SC2=NC(=C(C(N2C1=O)c1ccccc1(N+)(=O)(O))C(=O)OCc1ccccc1)C
InChI=1SC22H19N3O5Sc11318(21(27)3012158435915)19(1610671117(16)25(28)29)2420(26)14(2)3122(24)2313h3111419H12H212H3
MFCD04446835
ZINC000003636649
ZINC000003636655
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