Vitas-M small molecule compound
dimethyl 5-({[2-(5-chloro-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK261773
SMILES COC(=O)c1cc(NC(=S)NCCc2c[nH]c3c2cc(Cl)cc3)cc(c1)C(=O)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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-28-19(26)13-7-14(20(27)29-2)9-16(8-13)25-21(30)23-6-5-12-11-24-18-4-3-15(22)10-17(12)18/h3-4,7-11,24H,5-6H2,1-2H3,(H2,23,25,30)InChIKey
LVZIRYDYMKTMAT-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=C2C=C(C=C3)Cl)C(=O)OC
COC(=O)c1cc(NC(=S)NCCc2c(nH)c3c2cc(Cl)cc3)cc(c1)C(=O)OC
dimethyl5(((2(5chloro1Hindol3yl)ethyl)carbamothioyl)amino)benzene13dicarboxylate
dimethyl5(2(5chloro1Hindol3yl)ethylcarbamothioylamino)benzene13dicarboxylate
InChI=1SC21H20ClN3O4Sc12819(26)13714(20(27)292)916(813)2521(30)2365121124184315(22)1017(12)18h3471124H56H212H3(H2232530)
METHYL5((((2(5CHLOROINDOL3YL)ETHYL)AMINO)THIOXOMETHYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD07084197
ZINC000009481881
ZINC09481881
ZINC9481881
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