Vitas-M small molecule compound

(5Z)-1-(3,4-dimethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK172164
SMILES COc1cc2OCOc2cc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C

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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-11-4-5-14(6-12(11)2)23-20(25)15(19(24)22-21(23)26)7-13-8-17-18(29-10-28-17)9-16(13)27-3/h4-9H,10H2,1-3H3,(H,22,24,26)/b15-7-
InChIKey
PJNTXURRBATSRY-CHHVJCJISA-N
Synonyms

(5Z)1(34DIMETHYLPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(34DIMETHYLPHENYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=O)NC2=O)C
COc1cc2OCOc2cc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC21H18N2O6c1114514(612(11)2)2320(25)15(19(24)2221(23)26)71381718(29102817)916(13)273h49H10H213H3(H222426)b157
MFCD03923281
ZINC000014010839
ZINC14010839

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Available files

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