Vitas-M small molecule compound
1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxypropan-1-one
Catalog ID
STK169728
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)C(Oc1ccccc1)C
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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/c1-19(36-24-7-5-4-6-8-24)25(33)32-27(29-18-21-11-15-23(35-3)16-12-21)30-26(31-32)28-17-20-9-13-22(34-2)14-10-20/h4-16,19H,17-18H2,1-3H3,(H2,28,29,30,31)InChIKey
XKBROGUAXSAROR-UHFFFAOYSA-NSynonyms
1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2PHENOXYPROPAN1ONE
1(35bis((4methoxyphenyl)methylamino)124triazol1yl)2phenoxypropan1one
CC(C(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC)OC4=CC=CC=C4
InChI=1SC27H29N5O4c119(36247546824)25(33)3227(291821111523(353)161221)3026(3132)28172091322(342)141020h41619H1718H213H3(H228293031)
MFCD06663277
ZINC000009847040
ZINC000009847041
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