Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK570846
SMILES COc1ccc(cc1)CN1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc(cc2)C)C)/C1=O)O
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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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-16-5-9-21(10-6-16)29-17(2)13-20(18(29)3)14-23-24(30)27-26(32)28(25(23)31)15-19-7-11-22(33-4)12-8-19/h5-14H,15H2,1-4H3,(H,27,30,32)/b23-14-InChIKey
HFIQDXJJSSSJSU-UCQKPKSFSA-NSynonyms
586996-12-5(5Z)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)6hydroxy3(4methoxybenzyl)pyrimidine24(3H5H)dione
(5Z)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1((4METHOXYPHENYL)METHYL)13DIAZINANE246TRIONE
586996125
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)OC)C
COc1ccc(cc1)CN1C(=O)N=C(C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)O
InChI=1SC26H25N3O4c1165921(10616)2917(2)1320(18(29)3)142324(30)2726(32)28(25(23)31)151971122(334)12819h514H15H214H3(H273032)b2314
MFCD05730008
ZINC000002396574
ZINC2396574
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