Vitas-M small molecule compound

ethyl 5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate

Catalog ID
STK542373
SMILES CCNC(=S)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OCC

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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 C14H16ClN3O2S MW 325.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16ClN3O2S/c1-3-16-14(21)18-11-9-7-8(15)5-6-10(9)17-12(11)13(19)20-4-2/h5-7,17H,3-4H2,1-2H3,(H2,16,18,21)
InChIKey
XRJCQSFTKJOOOJ-UHFFFAOYSA-N
Synonyms
500272-50-4
500272504
CCNC(=S)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC
CCNC(=S)Nc1c((nH)c2c1cc(Cl)cc2)C(=O)OCC
ethyl5chloro3((ethylcarbamothioyl)amino)1Hindole2carboxylate
ethyl5chloro3(3ethylthioureido)1Hindole2carboxylate
ETHYL5CHLORO3(ETHYLCARBAMOTHIOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC14H16ClN3O2Sc131614(21)1811978(15)5610(9)1712(11)13(19)2042h5717H34H212H3(H2161821)
MFCD03302859
ZINC000004953385
ZINC04953385
ZINC4953385

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.