Vitas-M small molecule compound
methyl 3-{[(3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)carbonyl]amino}-5-fluoro-1H-indole-2-carboxylate
Catalog ID
STL147189
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C13CC4CC(C1)CC(C3)(C4)Cl)cc(cc2)F
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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 C21H22ClFN2O3 MW 404.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClFN2O3/c1-28-18(26)17-16(14-5-13(23)2-3-15(14)24-17)25-19(27)20-6-11-4-12(7-20)9-21(22,8-11)10-20/h2-3,5,11-12,24H,4,6-10H2,1H3,(H,25,27)InChIKey
LUVGDQLCCMZRFO-UHFFFAOYSA-NSynonyms
890093-57-9890093579
COC(=O)c1(nH)c2c(c1NC(=O)(C@)13CC4CC(C1)CC(C3)(C4)Cl)cc(cc2)F
COC(=O)c1(nH)c2c(c1NC(=O)C13CC4CC(C1)CC(C3)(C4)Cl)cc(cc2)F
COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl
InChI=1SC21H22ClFN2O3c12818(26)1716(14513(23)2315(14)2417)2519(27)20611412(720)921(22811)1020h235111224H4610H21H3(H2527)
methyl3(((3chlorotricyclo(3311~37~)dec1yl)carbonyl)amino)5fluoro1Hindole2carboxylate
methyl3((1r3s5R7S)3chloroadamantane1carboxamido)5fluoro1Hindole2carboxylate
METHYL3((3CHLOROADAMANTANE1CARBONYL)AMINO)5FLUORO1HINDOLE2CARBOXYLATE
ZINC000100822505
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