Vitas-M small molecule compound

methyl N-({5-chloro-2-[(2-chlorobenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)-beta-alanyl-beta-alaninate

Catalog ID
STL218644
SMILES COC(=O)CCNC(=O)CCNC(=O)c1nc(ncc1Cl)SCc1ccccc1Cl

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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 C19H20Cl2N4O4S MW 471.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20Cl2N4O4S/c1-29-16(27)7-9-22-15(26)6-8-23-18(28)17-14(21)10-24-19(25-17)30-11-12-4-2-3-5-13(12)20/h2-5,10H,6-9,11H2,1H3,(H,22,26)(H,23,28)
InChIKey
IDBBABNKCNDBBG-UHFFFAOYSA-N
Synonyms

COC(=O)CCNC(=O)CCNC(=O)C1=NC(=NC=C1Cl)SCC2=CC=CC=C2Cl
InChI=1SC19H20Cl2N4O4Sc12916(27)792215(26)682318(28)1714(21)102419(2517)301112423513(12)20h2510H6911H21H3(H2226)(H2328)
methyl3(3((5chloro2((2chlorophenyl)methylsulfanyl)pyrimidine4carbonyl)amino)propanoylamino)propanoate
methylN((5chloro2((2chlorobenzyl)sulfanyl)pyrimidin4yl)carbonyl)betaalanylbetaalaninate
MFCD18081705
ZINC000041157101
ZINC41157101

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Available files

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