Vitas-M small molecule compound
ethyl 4-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}benzoate
Catalog ID
STK559649
SMILES CCOC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S
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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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-2-24-16(23)10-3-5-11(6-4-10)18-9-13-14(21)19-17(25)20(15(13)22)12-7-8-12/h3-6,9,12,18H,2,7-8H2,1H3,(H,19,21,25)/b13-9+InChIKey
JSARKEJQBKWTHK-UKTHLTGXSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3
CCOC(=O)c1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)C1CC1)S
ethyl4(((E)(1cyclopropyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoate
ETHYL4(((E)(1CYCLOPROPYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
InChI=1SC17H17N3O4Sc122416(23)103511(6410)1891314(21)1917(25)20(15(13)22)127812h3691218H278H21H3(H192125)b139+
MFCD04073404
ZINC000002393093
ZINC02393093
ZINC2393093
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