Vitas-M small molecule compound
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK317077
SMILES CCOc1ccccc1NC(=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 C21H25ClN4O2 MW 400.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4O2/c1-2-28-17-6-4-3-5-16(17)24-18(27)20-8-14-7-15(9-20)11-21(10-14,12-20)26-13-23-19(22)25-26/h3-6,13-15H,2,7-12H2,1H3,(H,24,27)InChIKey
VMDRUJDUBBJSGZ-UHFFFAOYSA-NSynonyms
515828-72-53(3CHLORO124TRIAZOL1YL)N(2ETHOXYPHENYL)ADAMANTANE1CARBOXAMIDE
3(3CHLORO1H124TRIAZOL1YL)N(2ETHOXYPHENYL)1ADAMANTANECARBOXAMIDE
3(3chloro1H124triazol1yl)N(2ethoxyphenyl)tricyclo(3311~37~)decane1carboxamide
515828725
CCOC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl
InChI=1SC21H25ClN4O2c122817643516(17)2418(27)20814715(920)1121(10141220)26132319(22)2526h361315H2712H21H3(H2427)
MFCD03758689
ZINC000018172655
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