Vitas-M small molecule compound
(2E)-1-[3,5-bis(benzylamino)-1H-1,2,4-triazol-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
Catalog ID
STK192276
SMILES Clc1ccc(cc1)/C=C/C(=O)n1nc(nc1NCc1ccccc1)NCc1ccccc1
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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 C25H22ClN5O MW 443.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O/c26-22-14-11-19(12-15-22)13-16-23(32)31-25(28-18-21-9-5-2-6-10-21)29-24(30-31)27-17-20-7-3-1-4-8-20/h1-16H,17-18H2,(H2,27,28,29,30)/b16-13+InChIKey
HEUBEPSEQZRZKA-DTQAZKPQSA-NSynonyms
(2E)1(35BIS(BENZYLAMINO)1H124TRIAZOL1YL)3(4CHLOROPHENYL)PROP2EN1ONE
(E)1(35bis(benzylamino)124triazol1yl)3(4chlorophenyl)prop2en1one
C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)Cl
Clc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1ccccc1)NCc1ccccc1
InChI=1SC25H22ClN5Oc2622141119(121522)131623(32)3125(28182195261021)2924(3031)2717207314820h116H1718H2(H227282930)b1613+
MFCD06665525
ZINC000009933346
ZINC09933346
ZINC9933346
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