Vitas-M small molecule compound

2-[(3-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

Catalog ID
STK170624
SMILES N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

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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 C27H17ClN4O3 MW 480.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClN4O3/c28-20-9-11-21(12-10-20)32-26(34)23(25(33)30-27(32)35)13-19-16-31(24-8-4-3-7-22(19)24)15-18-6-2-1-5-17(18)14-29/h1-13,16H,15H2,(H,30,33,35)/b23-13+
InChIKey
XRTXMXCIFIAHBX-YDZHTSKRSA-N
Synonyms

(Z)2((3((1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)methyl)benzonitrile
2((3((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(4CHLOROPHENYL)4HYDROXY26DIOXO16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)Cl)C#N
InChI=1SC27H17ClN4O3c282091121(121020)3226(34)23(25(33)3027(32)35)13191631(24843722(19)24)1518621517(18)1429h11316H15H2(H303335)b2313+
MFCD01655932
N#Cc1ccccc1Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
ZINC8915120

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Available files

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