Vitas-M small molecule compound
(5Z)-5-[(2E)-3-(1,3-benzodioxol-5-yl)-1-hydroxyprop-2-en-1-ylidene]-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK606719
SMILES O=C1N=C(O)/C(=C(\C=C\c2ccc3c(c2)OCO3)/O)/C(=O)N1C
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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 C15H12N2O6 MW 316.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O6/c1-17-14(20)12(13(19)16-15(17)21)9(18)4-2-8-3-5-10-11(6-8)23-7-22-10/h2-6,18H,7H2,1H3,(H,16,19,21)/b4-2+,12-9-InChIKey
MXXMRHGSGWAHTA-XDFADHSESA-NSynonyms
(5Z)5((2E)3(13benzodioxol5yl)1hydroxyprop2en1ylidene)6hydroxy3methylpyrimidine24(3H5H)dione
(5Z)5((E)3(13benzodioxol5yl)1hydroxyprop2enylidene)1methyl13diazinane246trione
CN1C(=O)C(=C(C=CC2=CC3=C(C=C2)OCO3)O)C(=O)NC1=O
InChI=1SC15H12N2O6c11714(20)12(13(19)1615(17)21)9(18)428351011(68)2372210h2618H7H21H3(H161921)b42+129
MFCD07798358
O=C1N=C(O)C(=C(C=Cc2ccc3c(c2)OCO3)O)C(=O)N1C
ZINC000101387380
ZINC101387380
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