Vitas-M small molecule compound

N-[2-(2-{(E)-[1-(3-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide

Catalog ID
STL048180
SMILES CC(=O)NCCc1c(/C=C/2\C(=NC(=O)N(C2=O)c2cccc(c2)F)O)[nH]c2c1cccc2

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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 C23H19FN4O4 MW 434.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN4O4/c1-13(29)25-10-9-17-16-7-2-3-8-19(16)26-20(17)12-18-21(30)27-23(32)28(22(18)31)15-6-4-5-14(24)11-15/h2-8,11-12,26H,9-10H2,1H3,(H,25,29)(H,27,30,32)/b18-12+
InChIKey
RMBQJEOMKDSTSX-LDADJPATSA-N
Synonyms

CC(=O)NCCC1=C(NC2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F
CC(=O)NCCc1c(C=C2C(=NC(=O)N(C2=O)c2cccc(c2)F)O)(nH)c2c1cccc2
InChI=1SC23H19FN4O4c113(29)251091716723819(16)2620(17)121821(30)2723(32)28(22(18)31)1564514(24)1115h28111226H910H21H3(H2529)(H273032)b1812+
MFCD05729956
N(2(2((E)(1(3FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)ACETAMIDE
N(2(2((E)(1(3fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)1Hindol3yl)ethyl)acetamide
ZINC000017209465
ZINC17209465

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Available files

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