Vitas-M small molecule compound
methyl 3-{[(3-bromotricyclo[3.3.1.1~3,7~]dec-1-yl)carbonyl]amino}-5-methyl-1H-indole-2-carboxylate
Catalog ID
STL334941
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C13CC4CC(C1)CC(C3)(C4)Br)cc(cc2)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 C22H25BrN2O3 MW 445.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN2O3/c1-12-3-4-16-15(5-12)17(18(24-16)19(26)28-2)25-20(27)21-7-13-6-14(8-21)10-22(23,9-13)11-21/h3-5,13-14,24H,6-11H2,1-2H3,(H,25,27)InChIKey
KMUZEHSMIJMQSZ-UHFFFAOYSA-NSynonyms
890095-05-3890095053
CC1=CC2=C(C=C1)NC(=C2NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)C13CC4CC(C1)CC(C3)(C4)Br)cc(cc2)C
InChI=1SC22H25BrN2O3c112341615(512)17(18(2416)19(26)282)2520(27)21713614(821)1022(23913)1121h35131424H611H212H3(H2527)
methyl3(((3bromotricyclo(3311~37~)dec1yl)carbonyl)amino)5methyl1Hindole2carboxylate
methyl3((1r3s5R7S)3bromoadamantane1carboxamido)5methyl1Hindole2carboxylate
METHYL3((3BROMOADAMANTANE1CARBONYL)AMINO)5METHYL1HINDOLE2CARBOXYLATE
ZINC000100874066
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