Vitas-M small molecule compound
ethyl 4-[(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate
Catalog ID
STK213697
SMILES C=CCn1c(nc(=O)cc1N)SC(C(=O)Nc1ccc(cc1)C(=O)OCC)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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-4-10-23-15(20)11-16(24)22-19(23)28-12(3)17(25)21-14-8-6-13(7-9-14)18(26)27-5-2/h4,6-9,11-12H,1,5,10,20H2,2-3H3,(H,21,25)InChIKey
MHHNMHUDOXBGMS-UHFFFAOYSA-NSynonyms
709004-42-2709004422
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CC=C)N
ETHYL4((2((6AMINO4OXO1(PROP2EN1YL)14DIHYDROPYRIMIDIN2YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
ETHYL4(2(6AMINO4OXO1PROP2ENYLPYRIMIDIN2YL)SULFANYLPROPANOYLAMINO)BENZOATE
InChI=1SC19H22N4O4Sc14102315(20)1116(24)2219(23)2812(3)17(25)21148613(7914)18(26)2752h4691112H151020H223H3(H2125)
MFCD05994015
ZINC000001123626
ZINC000001123628
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