Vitas-M small molecule compound
ethyl 2-({[1-(4-chlorobenzyl)-3-nitro-1H-pyrazol-5-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK958050
SMILES CCOC(=O)c1c(NC(=O)c2cc(nn2Cc2ccc(cc2)Cl)[N+](=O)[O-])sc2c1CCC(C2)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 C23H23ClN4O5S MW 502.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O5S/c1-3-33-23(30)20-16-9-4-13(2)10-18(16)34-22(20)25-21(29)17-11-19(28(31)32)26-27(17)12-14-5-7-15(24)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,25,29)InChIKey
SAYZUDCOQSAFGF-UHFFFAOYSA-NSynonyms
489408-79-9489408799
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NN3CC4=CC=C(C=C4)Cl)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(nn2Cc2ccc(cc2)Cl)(N+)(=O)(O))sc2c1CCC(C2)C
ethyl2(((1(4chlorobenzyl)3nitro1Hpyrazol5yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4chlorophenyl)methyl)5nitropyrazole3carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H23ClN4O5Sc133323(30)20169413(2)1018(16)3422(20)2521(29)171119(28(31)32)2627(17)12145715(24)8614h581113H3491012H212H3(H2529)
MFCD01648158
ZINC000000668921
ZINC000000668922
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