Vitas-M small molecule compound

methyl N-{[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}-beta-alaninate

Catalog ID
STL217451
SMILES COC(=O)CCNC(=O)c1nc(SC)ncc1Br

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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 C10H12BrN3O3S MW 334.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12BrN3O3S/c1-17-7(15)3-4-12-9(16)8-6(11)5-13-10(14-8)18-2/h5H,3-4H2,1-2H3,(H,12,16)
InChIKey
QIJBSHJZOVOAKY-UHFFFAOYSA-N
Synonyms

COC(=O)CCNC(=O)C1=NC(=NC=C1Br)SC
InChI=1SC10H12BrN3O3Sc1177(15)34129(16)86(11)51310(148)182h5H34H212H3(H1216)
methyl3((5bromo2methylsulfanylpyrimidine4carbonyl)amino)propanoate
methylN((5bromo2(methylsulfanyl)pyrimidin4yl)carbonyl)betaalaninate
MFCD18080713
ZINC000041097347
ZINC41097347

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Available files

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