Vitas-M small molecule compound
dimethyl 5-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STL482232
SMILES COC(=O)c1cc(NC(=S)NCCc2c[nH]c3c2cccc3)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-27-19(25)14-9-15(20(26)28-2)11-16(10-14)24-21(29)22-8-7-13-12-23-18-6-4-3-5-17(13)18/h3-6,9-12,23H,7-8H2,1-2H3,(H2,22,24,29)InChIKey
XMBKPCCJEUXYOW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=CC=CC=C32)C(=O)OC
COC(=O)c1cc(NC(=S)NCCc2c(nH)c3c2cccc3)cc(c1)C(=O)OC
DIMETHYL5((((2(1HINDOL3YL)ETHYL)AMINO)CARBONOTHIOYL)AMINO)ISOPHTHALATE
dimethyl5(((2(1Hindol3yl)ethyl)carbamothioyl)amino)benzene13dicarboxylate
DIMETHYL5(2(1HINDOL3YL)ETHYLCARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC21H21N3O4Sc12719(25)14915(20(26)282)1116(1014)2421(29)228713122318643517(13)18h3691223H78H212H3(H2222429)
METHYL5((((2INDOL3YLETHYL)AMINO)THIOXOMETHYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD05993728
ZINC000001122858
ZINC01122858
ZINC1122858
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