Vitas-M small molecule compound

(5Z)-1-[4-(butan-2-yl)phenyl]-5-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK549057
SMILES CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)cccc3)C)/C1=O)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 C31H29N3O3 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3/c1-5-19(2)22-10-13-26(14-11-22)34-30(36)28(29(35)32-31(34)37)18-25-16-20(3)33(21(25)4)27-15-12-23-8-6-7-9-24(23)17-27/h6-19H,5H2,1-4H3,(H,32,35,37)/b28-18-
InChIKey
XCUURFLWCVIYTD-VEILYXNESA-N
Synonyms
799810-79-0
(5Z)1(4(butan2yl)phenyl)5((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylidene)pyrimidine246(1H3H5H)trione
(5Z)1(4BUTAN2YLPHENYL)5((25DIMETHYL1NAPHTHALEN2YLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(Z)1(4(secbutyl)phenyl)5((25dimethyl1(naphthalen2yl)1Hpyrrol3yl)methylene)pyrimidine246(1H3H5H)trione
799810790
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC5=CC=CC=C5C=C4)C)C(=O)NC2=O
CCC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)cccc3)C)C1=O)C
InChI=1SC31H29N3O3c1519(2)22101326(141122)3430(36)28(29(35)3231(34)37)18251620(3)33(21(25)4)27151223867924(23)1727h619H5H214H3(H323537)b2818
MFCD03680531
ZINC000009428419
ZINC000009477846

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Available files

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