Vitas-M small molecule compound
1-{3,5-bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-(4-methoxyphenyl)ethanone
Catalog ID
STK178864
SMILES COc1ccc(cc1)CC(=O)n1nc(nc1NCc1ccccc1OC)NCc1ccccc1OC
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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 C27H29N5O4 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4/c1-34-22-14-12-19(13-15-22)16-25(33)32-27(29-18-21-9-5-7-11-24(21)36-3)30-26(31-32)28-17-20-8-4-6-10-23(20)35-2/h4-15H,16-18H2,1-3H3,(H2,28,29,30,31)InChIKey
KWDUMCOUTPRZPU-UHFFFAOYSA-NSynonyms
1(35BIS((2METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2(4METHOXYPHENYL)ETHANONE
1(35bis((2methoxyphenyl)methylamino)124triazol1yl)2(4methoxyphenyl)ethanone
COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)NCC3=CC=CC=C3OC)NCC4=CC=CC=C4OC
InChI=1SC27H29N5O4c13422141219(131522)1625(33)3227(2918219571124(21)363)3026(3132)2817208461023(20)352h415H1618H213H3(H228293031)
MFCD06663937
ZINC000009948499
ZINC09948499
ZINC9948499
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