Vitas-M small molecule compound
2-(3-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-(3-methoxypropyl)acetamide
Catalog ID
STL367760
SMILES COCCCNC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1C)C
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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 C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/c1-17-8-6-11-22(18(17)2)31-26(34)21(25(33)29-27(31)35)14-19-15-30(23-10-5-4-9-20(19)23)16-24(32)28-12-7-13-36-3/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,28,32)(H,29,33,35)/b21-14+InChIKey
AOAFKJJAUNZQTG-KGENOOAVSA-NSynonyms
2(3((E)(1(23dimethylphenyl)246trioxo13diazinan5ylidene)methyl)indol1yl)N(3methoxypropyl)acetamide
2(3((E)(1(23dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)N(3methoxypropyl)acetamide
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)NCCCOC)C(=O)NC2=O)C
COCCCNC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)C
InChI=1SC27H28N4O5c117861122(18(17)2)3126(34)21(25(33)2927(31)35)14191530(231054920(19)23)1624(32)2812713363h468111415H7121316H213H3(H2832)(H293335)b2114+
MFCD14709576
ZINC000027549105
ZINC27549105
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