Vitas-M small molecule compound

methyl 4-[(N-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}-beta-alanyl)amino]butanoate

Catalog ID
STL218323
SMILES COC(=O)CCCNC(=O)CCNC(=O)c1nc(SC)ncc1Cl

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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 C14H19ClN4O4S MW 374.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19ClN4O4S/c1-23-11(21)4-3-6-16-10(20)5-7-17-13(22)12-9(15)8-18-14(19-12)24-2/h8H,3-7H2,1-2H3,(H,16,20)(H,17,22)
InChIKey
NEMKXUSVRDDWSN-UHFFFAOYSA-N
Synonyms

COC(=O)CCCNC(=O)CCNC(=O)C1=NC(=NC=C1Cl)SC
InChI=1SC14H19ClN4O4Sc12311(21)4361610(20)571713(22)129(15)81814(1912)242h8H37H212H3(H1620)(H1722)
METHYL4((3(((5CHLORO2(METHYLSULFANYL)4PYRIMIDINYL)CARBONYL)AMINO)PROPANOYL)AMINO)BUTANOATE
methyl4((N((5chloro2(methylsulfanyl)pyrimidin4yl)carbonyl)betaalanyl)amino)butanoate
methyl4(3((5chloro2methylsulfanylpyrimidine4carbonyl)amino)propanoylamino)butanoate
MFCD18081437
ZINC000041156250
ZINC41156250

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Available files

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