Vitas-M small molecule compound

ethyl 6-{2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}-5-oxothiomorpholine-3-carboxylate

Catalog ID
STK356671
SMILES Cc1ccc(cc1NC(=O)CC1SCC(NC1=O)C(=O)OCC)Cl

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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 C16H19ClN2O4S MW 370.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN2O4S/c1-3-23-16(22)12-8-24-13(15(21)19-12)7-14(20)18-11-6-10(17)5-4-9(11)2/h4-6,12-13H,3,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
JRQZSGZHVJWEBO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=C(C=CC(=C2)Cl)C
ETHYL6((N(5CHLORO2METHYLPHENYL)CARBAMOYL)METHYL)5OXO14THIAZAPERHYDROINE3CARBOXYLATE
ethyl6(2((5chloro2methylphenyl)amino)2oxoethyl)5oxothiomorpholine3carboxylate
ethyl6(2(5chloro2methylanilino)2oxoethyl)5oxothiomorpholine3carboxylate
InChI=1SC16H19ClN2O4Sc132316(22)1282413(15(21)1912)714(20)1811610(17)549(11)2h461213H378H212H3(H1820)(H1921)
MFCD09430596
ZINC000009288646
ZINC000009288659

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Available files

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