Vitas-M small molecule compound

(2-{(Z)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetonitrile

Catalog ID
STK176429
SMILES N#CCOc1ccccc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br

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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 C20H14BrN3O4 MW 440.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O4/c1-12-10-14(6-7-16(12)21)24-19(26)15(18(25)23-20(24)27)11-13-4-2-3-5-17(13)28-9-8-22/h2-7,10-11H,9H2,1H3,(H,23,25,27)/b15-11-
InChIKey
MQGXBNZOEMZABF-PTNGSMBKSA-N
Synonyms

(2((Z)(1(4BROMO3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETONITRILE
2(2((Z)(1(4bromo3methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)acetonitrile
CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC=CC=C3OCC#N)C(=O)NC2=O)Br
InChI=1SC20H14BrN3O4c1121014(6716(12)21)2419(26)15(18(25)2320(24)27)1113423517(13)289822h271011H9H21H3(H232527)b1511
MFCD02194738
N#CCOc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
ZINC000009311156
ZINC09311156
ZINC9311156

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Available files

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