Vitas-M small molecule compound

methyl 2-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)benzoate

Catalog ID
STK316309
SMILES COC(=O)c1ccccc1NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl

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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 C21H23ClN4O3 MW 414.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O3/c1-29-17(27)15-4-2-3-5-16(15)24-18(28)20-7-13-6-14(8-20)10-21(9-13,11-20)26-12-23-19(22)25-26/h2-5,12-14H,6-11H2,1H3,(H,24,28)
InChIKey
VWYODXVPXYOCPE-UHFFFAOYSA-N
Synonyms
444927-74-6
444927746
COC(=O)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl
InChI=1SC21H23ClN4O3c12917(27)15423516(15)2418(28)20713614(820)1021(9131120)26122319(22)2526h251214H611H21H3(H2428)
METHYL2(((3(3CHLORO1H124TRIAZOL1YL)1ADAMANTYL)CARBONYL)AMINO)BENZOATE
methyl2(((3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)carbonyl)amino)benzoate
METHYL2((3(3CHLORO124TRIAZOL1YL)ADAMANTANE1CARBONYL)AMINO)BENZOATE
MFCD03071052
ZINC000018172596
ZINC12648936

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Available files

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