Vitas-M small molecule compound

2-(5-{(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)propanoic acid

Catalog ID
STK231362
SMILES COc1ccc(c(c1)OC)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)ccn3C(C(=O)O)C)/C1=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 C24H21N3O7 MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7/c1-13(23(30)31)26-9-8-15-10-14(4-6-18(15)26)11-17-21(28)25-24(32)27(22(17)29)19-7-5-16(33-2)12-20(19)34-3/h4-13H,1-3H3,(H,30,31)(H,25,28,32)/b17-11+
InChIKey
MWDQQTFRYNGWEN-GZTJUZNOSA-N
Synonyms

2(5((E)(1(24dimethoxyphenyl)246trioxo13diazinan5ylidene)methyl)indol1yl)propanoicacid
2(5((E)(1(24dimethoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)propanoicacid
CC(C(=O)O)N1C=CC2=C1C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)C4=C(C=C(C=C4)OC)OC
COc1ccc(c(c1)OC)N1C(=O)NC(=O)C(=Cc2ccc3c(c2)ccn3C(C(=O)O)C)C1=O
InChI=1SC24H21N3O7c113(23(30)31)2698151014(4618(15)26)111721(28)2524(32)27(22(17)29)197516(332)1220(19)343h413H13H3(H3031)(H252832)b1711+
MFCD08677100
ZINC000009290858
ZINC000009290860

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Available files

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