Vitas-M small molecule compound
(5E)-3-benzyl-5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL051922
SMILES O=C1N=C(O)/C(=C\Nc2ccc3c(c2)OCCO3)/C(=O)N1Cc1ccccc1
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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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c24-18-15(11-21-14-6-7-16-17(10-14)28-9-8-27-16)19(25)23(20(26)22-18)12-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2,(H,22,24,26)/b15-11+InChIKey
OCBBENDHIMVBIK-RVDMUPIBSA-NSynonyms
(5E)1BENZYL5((23DIHYDRO14BENZODIOXIN6YLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3benzyl5((23dihydro14benzodioxin6ylamino)methylidene)6hydroxypyrimidine24(3H5H)dione
C1COC2=C(O1)C=CC(=C2)NC=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4
InChI=1SC20H17N3O5c241815(112114671617(1014)28982716)19(25)23(20(26)2218)12134213513h17101121H8912H2(H222426)b1511+
MFCD05724493
O=C1N=C(O)C(=CNc2ccc3c(c2)OCCO3)C(=O)N1Cc1ccccc1
ZINC000009313438
ZINC05769249
ZINC09313438
ZINC9313438
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