Vitas-M small molecule compound
{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-chlorophenyl)methanone
Catalog ID
STK179019
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)c2ccc(cc2)Cl)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 C27H28ClN5O5 MW 538.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN5O5/c1-35-21-11-5-17(13-23(21)37-3)15-29-26-31-27(30-16-18-6-12-22(36-2)24(14-18)38-4)33(32-26)25(34)19-7-9-20(28)10-8-19/h5-14H,15-16H2,1-4H3,(H2,29,30,31,32)InChIKey
WAPKISVTGIFZSQ-UHFFFAOYSA-NSynonyms
(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4CHLOROPHENYL)METHANONE
(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)(4chlorophenyl)methanone
COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)Cl)OC
InChI=1SC27H28ClN5O5c1352111517(1323(21)373)1529263127(30161861222(362)24(1418)384)33(3226)25(34)197920(28)10819h514H1516H214H3(H229303132)
MFCD06664077
ZINC000097995296
ZINC97995296
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