Vitas-M small molecule compound
3-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)benzoic acid
Catalog ID
STK316720
SMILES Clc1ncn(n1)C12CC3CC(C1)CC(C2)(C3)C(=O)Nc1cccc(c1)C(=O)O
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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 C20H21ClN4O3 MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O3/c21-18-22-11-25(24-18)20-8-12-4-13(9-20)7-19(6-12,10-20)17(28)23-15-3-1-2-14(5-15)16(26)27/h1-3,5,11-13H,4,6-10H2,(H,23,28)(H,26,27)InChIKey
FFDWDASEQLUTRC-UHFFFAOYSA-NSynonyms
496016-54-73(((3(3CHLORO1H124TRIAZOL1YL)1ADAMANTYL)CARBONYL)AMINO)BENZOICACID
3(((3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)carbonyl)amino)benzoicacid
3((3(3CHLORO124TRIAZOL1YL)ADAMANTANE1CARBONYL)AMINO)BENZOICACID
496016547
C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC=CC(=C5)C(=O)O
InChI=1SC20H21ClN4O3c2118221125(2418)20812413(920)719(6121020)17(28)231531214(515)16(26)27h1351113H4610H2(H2328)(H2627)
MFCD03072934
ZINC000002763075
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