Vitas-M small molecule compound

{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-tert-butylphenyl)methanone

Catalog ID
STK179028
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)c2ccc(cc2)C(C)(C)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 C31H37N5O5 MW 559.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N5O5/c1-31(2,3)23-12-10-22(11-13-23)28(37)36-30(33-19-21-9-15-25(39-5)27(17-21)41-7)34-29(35-36)32-18-20-8-14-24(38-4)26(16-20)40-6/h8-17H,18-19H2,1-7H3,(H2,32,33,34,35)
InChIKey
BMFBLSMPCBRYNX-UHFFFAOYSA-N
Synonyms

(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4TERTBUTYLPHENYL)METHANONE
(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)(4tertbutylphenyl)methanone
CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)NCC3=CC(=C(C=C3)OC)OC)NCC4=CC(=C(C=C4)OC)OC
InChI=1SC31H37N5O5c131(23)23121022(111323)28(37)3630(33192191525(395)27(1721)417)3429(3536)32182081424(384)26(1620)406h817H1819H217H3(H232333435)
MFCD06664085
ZINC000097995307
ZINC97995307

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Available files

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