Vitas-M small molecule compound
ethyl 2-({[4-bromo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL401451
SMILES CCOC(=O)c1c(NC(=O)c2nn(cc2Br)C23CC4CC(C3)CC(C2)C4)sc(c1C)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 C23H28BrN3O3S MW 506.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrN3O3S/c1-4-30-22(29)18-12(2)13(3)31-21(18)25-20(28)19-17(24)11-27(26-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h11,14-16H,4-10H2,1-3H3,(H,25,28)InChIKey
XEGFWKFUZKVUFD-UHFFFAOYSA-NSynonyms
490013-26-8490013268
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C=C2Br)C34CC5CC(C3)CC(C5)C4
ETHYL2(((1(1ADAMANTYL)4BROMO1HPYRAZOL3YL)CARBONYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
ethyl2(((4bromo1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((1(1ADAMANTYL)4BROMOPYRAZOLE3CARBONYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H28BrN3O3Sc143022(29)1812(2)13(3)3121(18)2520(28)1917(24)1127(2619)23814515(923)716(614)1023h111416H410H213H3(H2528)
ZINC000008455866
ZINC08455866
ZINC8455866
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