Vitas-M small molecule compound
(5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK569592
SMILES COc1ccc(cc1)CN1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc(cc2)F)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 C25H22FN3O4 MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4/c1-15-12-18(16(2)29(15)20-8-6-19(26)7-9-20)13-22-23(30)27-25(32)28(24(22)31)14-17-4-10-21(33-3)11-5-17/h4-13H,14H2,1-3H3,(H,27,30,32)/b22-13-InChIKey
JAWRNPSQALEAEU-XKZIYDEJSA-NSynonyms
573695-34-8(5Z)5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxy3(4methoxybenzyl)pyrimidine24(3H5H)dione
(5Z)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1((4METHOXYPHENYL)METHYL)13DIAZINANE246TRIONE
573695348
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)OC
COc1ccc(cc1)CN1C(=O)N=C(C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O)O
InChI=1SC25H22FN3O4c1151218(16(2)29(15)208619(26)7920)132223(30)2725(32)28(24(22)31)141741021(333)11517h413H14H213H3(H273032)b2213
MFCD05731524
ZINC000002366681
ZINC2366681
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