Vitas-M small molecule compound
diethyl 3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STL399132
SMILES CCOC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)OCC
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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 C25H30N4O7S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O7S/c1-4-35-23(31)18-13(3)20(24(32)36-5-2)37-22(18)26-21(30)19-17(29(33)34)12-28(27-19)25-9-14-6-15(10-25)8-16(7-14)11-25/h12,14-16H,4-11H2,1-3H3,(H,26,30)InChIKey
IKHRAVONOXNLIS-UHFFFAOYSA-NSynonyms
492456-95-8492456958
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
CCOC(=O)c1c(NC(=O)c2nn(cc2(N+)(=O)(O))C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)OCC
diethyl3methyl5(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)thiophene24dicarboxylate
DIETHYL5(((1(1ADAMANTYL)4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
DIETHYL5((1(1ADAMANTYL)4NITROPYRAZOLE3CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC25H30N4O7Sc143523(31)1813(3)20(24(32)3652)3722(18)2621(30)1917(29(33)34)1228(2719)25914615(1025)816(714)1125h121416H411H213H3(H2630)
ZINC000008454525
ZINC08454525
ZINC8454525
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.