Vitas-M small molecule compound

(5Z)-3-(2,5-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK569382
SMILES COc1ccc(cc1N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc(cc2)C)C)/C1=O)O)OC

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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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-15-6-8-19(9-7-15)28-16(2)12-18(17(28)3)13-21-24(30)27-26(32)29(25(21)31)22-14-20(33-4)10-11-23(22)34-5/h6-14H,1-5H3,(H,27,30,32)/b21-13-
InChIKey
HLQCJXNPYHGLDL-BKUYFWCQSA-N
Synonyms
587002-53-7
(5Z)1(25DIMETHOXYPHENYL)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3(25dimethoxyphenyl)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)6hydroxypyrimidine24(3H5H)dione
587002537
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=C(C=CC(=C4)OC)OC)C
COc1ccc(cc1N1C(=O)N=C(C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)O)OC
InChI=1SC26H25N3O5c1156819(9715)2816(2)1218(17(28)3)132124(30)2726(32)29(25(21)31)221420(334)101123(22)345h614H15H3(H273032)b2113
MFCD05727118
ZINC000002394374
ZINC2394374

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Available files

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