Vitas-M small molecule compound
ethyl 2-({[5-(1-methyl-4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK314775
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3)c2nn(cc2[N+](=O)[O-])C)sc2c1CCCC2
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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 C22H21N7O5S MW 495.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O5S/c1-3-34-22(31)18-12-6-4-5-7-16(12)35-21(18)24-20(30)14-10-17-23-13(8-9-28(17)25-14)19-15(29(32)33)11-27(2)26-19/h8-11H,3-7H2,1-2H3,(H,24,30)InChIKey
OTFQEJBKMNRWLV-UHFFFAOYSA-NSynonyms
1005557-49-21005557492
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C=CC(=NC4=C3)C5=NN(C=C5(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3)c2nn(cc2(N+)(=O)(O))C)sc2c1CCCC2
ethyl2(((5(1methyl4nitro1Hpyrazol3yl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5(1methyl4nitropyrazol3yl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H21N7O5Sc133422(31)1812645716(12)3521(18)2420(30)1410172313(8928(17)2514)1915(29(32)33)1127(2)2619h811H37H212H3(H2430)
MFCD08553345
ZINC000013961101
ZINC13961101
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