Vitas-M small molecule compound
methyl (2E)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL392968
SMILES COC(=O)C1=C(C)N=c2n(C1c1cn(nc1C)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 C21H19N5O5S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5S/c1-11-15(10-24(3)23-11)18-17(20(28)31-4)12(2)22-21-25(18)19(27)16(32-21)9-13-5-7-14(8-6-13)26(29)30/h5-10,18H,1-4H3/b16-9+InChIKey
YCNKWWNMHFLCDP-CXUHLZMHSA-NSynonyms
1005697-15-31005697153
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))SC2=N1)C4=CN(N=C4C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cn(nc1C)C)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
InChI=1SC21H19N5O5Sc11115(1024(3)2311)1817(20(28)314)12(2)222125(18)19(27)16(3221)9135714(8613)26(29)30h51018H14H3b169+
METHYL(2E)5(13DIMETHYL1HPYRAZOL4YL)7METHYL2(4NITROBENZYLIDENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)5(13dimethylpyrazol4yl)7methyl2((4nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04045985
ZINC000022535327
ZINC000022535332
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