Vitas-M small molecule compound
methyl N-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}-beta-alanyl-beta-alaninate
Catalog ID
STL218315
SMILES COC(=O)CCNC(=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 C13H17ClN4O4S MW 360.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17ClN4O4S/c1-22-10(20)4-6-15-9(19)3-5-16-12(21)11-8(14)7-17-13(18-11)23-2/h7H,3-6H2,1-2H3,(H,15,19)(H,16,21)InChIKey
QZNFNJRPLZPNOA-UHFFFAOYSA-NSynonyms
COC(=O)CCNC(=O)CCNC(=O)C1=NC(=NC=C1Cl)SC
InChI=1SC13H17ClN4O4Sc12210(20)46159(19)351612(21)118(14)71713(1811)232h7H36H212H3(H1519)(H1621)
methyl3(3((5chloro2methylsulfanylpyrimidine4carbonyl)amino)propanoylamino)propanoate
methylN((5chloro2(methylsulfanyl)pyrimidin4yl)carbonyl)betaalanylbetaalaninate
MFCD18081430
ZINC000041156235
ZINC41156235
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