Vitas-M small molecule compound
methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)benzoate
Catalog ID
STK316206
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C12CC3CC(C1)CC(C2)(C3)n1ncnc1)OC
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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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c1-30-18-5-16(20(28)32-3)17(6-19(18)31-2)26-21(29)22-7-14-4-15(8-22)10-23(9-14,11-22)27-13-24-12-25-27/h5-6,12-15H,4,7-11H2,1-3H3,(H,26,29)InChIKey
XGLJEPDXEVQGDL-UHFFFAOYSA-NSynonyms
444936-39-4444936394
COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5)OC
InChI=1SC23H28N4O5c13018516(20(28)323)17(619(18)312)2621(29)22714415(822)1023(9141122)271324122527h561215H4711H213H3(H2629)
METHYL45DIMETHOXY2(((3(1H124TRIAZOL1YL)1ADAMANTYL)CARBONYL)AMINO)BENZOATE
methyl45dimethoxy2(((3(1H124triazol1yl)tricyclo(3311~37~)dec1yl)carbonyl)amino)benzoate
METHYL45DIMETHOXY2((3(124TRIAZOL1YL)ADAMANTANE1CARBONYL)AMINO)BENZOATE
MFCD03071436
ZINC000012648880
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