Vitas-M small molecule compound
(3Z)-3-[4-hydroxy-1-(3-methoxypropyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]-N-methyl-5-phenylpyrazolidine-1-carbothioamide
Catalog ID
STK581814
SMILES COCCCN1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccccc2)C(=S)NC)/C1=O)O
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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 C19H23N5O4S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O4S/c1-20-19(29)24-14(12-7-4-3-5-8-12)11-13(22-24)15-16(25)21-18(27)23(17(15)26)9-6-10-28-2/h3-5,7-8,14,22H,6,9-11H2,1-2H3,(H,20,29)(H,21,25,27)/b15-13-InChIKey
HCOSGTQDUURBEV-SQFISAMPSA-NSynonyms
(3Z)3(1(3methoxypropyl)246trioxo13diazinan5ylidene)Nmethyl5phenylpyrazolidine1carbothioamide
(3Z)3(4hydroxy1(3methoxypropyl)26dioxo16dihydropyrimidin5(2H)ylidene)Nmethyl5phenylpyrazolidine1carbothioamide
CNC(=S)N1C(CC(=C2C(=O)NC(=O)N(C2=O)CCCOC)N1)C3=CC=CC=C3
COCCCN1C(=O)N=C(C(=C2NN(C(C2)c2ccccc2)C(=S)NC)C1=O)O
InChI=1SC19H23N5O4Sc12019(29)2414(127435812)1113(2224)1516(25)2118(27)23(17(15)26)9610282h35781422H6911H212H3(H2029)(H212527)b1513
MFCD07797742
ZINC000008995305
ZINC000008995306
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