Vitas-M small molecule compound
{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methylphenyl)methanone
Catalog ID
STK187636
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)c2cccc(c2)C)ccc1OC
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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 C28H31N5O5 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O5/c1-18-7-6-8-21(13-18)26(34)33-28(30-17-20-10-12-23(36-3)25(15-20)38-5)31-27(32-33)29-16-19-9-11-22(35-2)24(14-19)37-4/h6-15H,16-17H2,1-5H3,(H2,29,30,31,32)InChIKey
UPVKMRAONXWCFY-UHFFFAOYSA-NSynonyms
(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(3METHYLPHENYL)METHANONE
(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)(3methylphenyl)methanone
CC1=CC=CC(=C1)C(=O)N2C(=NC(=N2)NCC3=CC(=C(C=C3)OC)OC)NCC4=CC(=C(C=C4)OC)OC
InChI=1SC28H31N5O5c11876821(1318)26(34)3328(301720101223(363)25(1520)385)3127(3233)29161991122(352)24(1419)374h615H1617H215H3(H229303132)
MFCD06664610
ZINC000009907551
ZINC09907551
ZINC9907551
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