Vitas-M small molecule compound
ethyl 4-({2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK213692
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(N)cc(n1)N)C
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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 C16H19N5O3S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O3S/c1-3-24-15(23)10-4-6-11(7-5-10)19-14(22)9(2)25-16-20-12(17)8-13(18)21-16/h4-9H,3H2,1-2H3,(H,19,22)(H4,17,18,20,21)InChIKey
JZBPQVQUXVPEQO-UHFFFAOYSA-NSynonyms
708283-91-4708283914
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N
ETHYL4((2((46DIAMINOPYRIMIDIN2YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
ETHYL4(2(46DIAMINOPYRIMIDIN2YL)SULFANYLPROPANOYLAMINO)BENZOATE
ETHYL4(2(46DIAMINOPYRIMIDIN2YLTHIO)PROPANOYLAMINO)BENZOATE
InChI=1SC16H19N5O3Sc132415(23)104611(7510)1914(22)9(2)25162012(17)813(18)2116h49H3H212H3(H1922)(H417182021)
MFCD05992960
ZINC000002861107
ZINC000002861108
ZINC02861107
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