Vitas-M small molecule compound
(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-3-cycloheptyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL042171
SMILES O=C1N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)/C(=O)N1C1CCCCCC1
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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 C20H23N3O5 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5/c24-18-15(11-21-10-13-7-8-16-17(9-13)28-12-27-16)19(25)23(20(26)22-18)14-5-3-1-2-4-6-14/h7-9,11,14,21H,1-6,10,12H2,(H,22,24,26)/b15-11-InChIKey
PWQNVORBONIXHC-PTNGSMBKSA-NSynonyms
(5Z)5(((13benzodioxol5ylmethyl)amino)methylidene)3cycloheptyl6hydroxypyrimidine24(3H5H)dione
(5Z)5((13BENZODIOXOL5YLMETHYLAMINO)METHYLIDENE)1CYCLOHEPTYL13DIAZINANE246TRIONE
C1CCCC(CC1)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=O
InChI=1SC20H23N3O5c241815(11211013781617(913)28122716)19(25)23(20(26)2218)1453124614h79111421H161012H2(H222426)b1511
MFCD05728997
O=C1N=C(O)C(=CNCc2ccc3c(c2)OCO3)C(=O)N1C1CCCCCC1
ZINC000002238925
ZINC02238925
ZINC2238925
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