Vitas-M small molecule compound
methyl 2-{[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)carbamothioyl]amino}benzoate
Catalog ID
STK347571
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)CC12CC3CC(C2)CC(C1)C3
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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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-26-19(25)16-4-2-3-5-17(16)22-20(27)23-18(24)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3,(H2,22,23,24,27)InChIKey
JQSZMHXDONCVKL-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3
InChI=1SC21H26N2O3Sc12619(25)16423517(16)2220(27)2318(24)1221913614(1021)815(713)1121h251315H612H21H3(H222232427)
METHYL2((((1ADAMANTYLACETYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
methyl2(((tricyclo(3311~37~)dec1ylacetyl)carbamothioyl)amino)benzoate
METHYL2((2(1ADAMANTYL)ACETYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD05796015
ZINC000005065066
ZINC05065066
ZINC5065066
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