Vitas-M small molecule compound
(5Z)-3-(3-chloro-4-methoxyphenyl)-6-hydroxy-5-{[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL043980
SMILES COc1ccc(cc1Cl)N1C(=O)N=C(/C(=C/c2cn(c3c2cccc3)Cc2cccc3c2cccc3)/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 C31H22ClN3O4 MW 535.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClN3O4/c1-39-28-14-13-22(16-26(28)32)35-30(37)25(29(36)33-31(35)38)15-21-18-34(27-12-5-4-11-24(21)27)17-20-9-6-8-19-7-2-3-10-23(19)20/h2-16,18H,17H2,1H3,(H,33,36,38)/b25-15-InChIKey
SOQWULMACZHBDH-MYYYXRDXSA-NSynonyms
673497-13-7(5Z)1(3CHLORO4METHOXYPHENYL)5((1(NAPHTHALEN1YLMETHYL)INDOL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3(3chloro4methoxyphenyl)6hydroxy5((1(naphthalen1ylmethyl)1Hindol3yl)methylidene)pyrimidine24(3H5H)dione
673497137
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65)C(=O)NC2=O)Cl
COc1ccc(cc1Cl)N1C(=O)N=C(C(=Cc2cn(c3c2cccc3)Cc2cccc3c2cccc3)C1=O)O
InChI=1SC31H22ClN3O4c13928141322(1626(28)32)3530(37)25(29(36)3331(35)38)15211834(2712541124(21)27)1720968197231023(19)20h21618H17H21H3(H333638)b2515
MFCD04080695
ZINC000097969416
ZINC97969416
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