Vitas-M small molecule compound

(2E)-1-{3,5-bis[(3-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-phenylprop-2-en-1-one

Catalog ID
STK169817
SMILES Clc1cccc(c1)CNc1nc(nn1C(=O)/C=C/c1ccccc1)NCc1cccc(c1)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 C25H21Cl2N5O MW 478.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N5O/c26-21-10-4-8-19(14-21)16-28-24-30-25(29-17-20-9-5-11-22(27)15-20)32(31-24)23(33)13-12-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,28,29,30,31)/b13-12+
InChIKey
YXSDGVQIXOHOBZ-OUKQBFOZSA-N
Synonyms

(2E)1(35BIS((3CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)3PHENYLPROP2EN1ONE
(E)1(35bis((3chlorophenyl)methylamino)124triazol1yl)3phenylprop2en1one
C1=CC=C(C=C1)C=CC(=O)N2C(=NC(=N2)NCC3=CC(=CC=C3)Cl)NCC4=CC(=CC=C4)Cl
Clc1cccc(c1)CNc1nc(nn1C(=O)C=Cc1ccccc1)NCc1cccc(c1)Cl
InChI=1SC25H21Cl2N5Oc2621104819(1421)1628243025(291720951122(27)1520)32(3124)23(33)1312186213718h115H1617H2(H228293031)b1312+
MFCD06663350
ZINC000009847096
ZINC09847096
ZINC9847096

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Available files

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