Vitas-M small molecule compound
(3Z)-3-[4-hydroxy-1-(3-methoxypropyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]-5-(4-methoxyphenyl)-N-methylpyrazolidine-1-carbothioamide
Catalog ID
STK606274
SMILES COCCCN1C(=O)N=C(/C(=C/2\CC(N(N2)C(=S)NC)c2ccc(cc2)OC)/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 C20H25N5O5S MW 447.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O5S/c1-21-20(31)25-15(12-5-7-13(30-3)8-6-12)11-14(23-25)16-17(26)22-19(28)24(18(16)27)9-4-10-29-2/h5-8,15,23H,4,9-11H2,1-3H3,(H,21,31)(H,22,26,28)/b16-14-InChIKey
YEDNHUQGURUSIF-PEZBUJJGSA-NSynonyms
(3Z)3(4hydroxy1(3methoxypropyl)26dioxo16dihydropyrimidin5(2H)ylidene)5(4methoxyphenyl)Nmethylpyrazolidine1carbothioamide
(3Z)5(4methoxyphenyl)3(1(3methoxypropyl)246trioxo13diazinan5ylidene)Nmethylpyrazolidine1carbothioamide
CNC(=S)N1C(CC(=C2C(=O)NC(=O)N(C2=O)CCCOC)N1)C3=CC=C(C=C3)OC
COCCCN1C(=O)N=C(C(=C2CC(N(N2)C(=S)NC)c2ccc(cc2)OC)C1=O)O
InChI=1SC20H25N5O5Sc12120(31)2515(125713(303)8612)1114(2325)1617(26)2219(28)24(18(16)27)9410292h581523H4911H213H3(H2131)(H222628)b1614
MFCD08730997
ZINC000009171454
ZINC000013592490
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