Vitas-M small molecule compound

di-tert-butyl [4-(azepan-1-yl)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

Catalog ID
STK018828
SMILES O=C(C(C(=O)OC(C)(C)C)c1nc(nc(n1)N(c1ccccc1)c1ccccc1)N1CCCCCC1)OC(C)(C)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 C32H41N5O4 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N5O4/c1-31(2,3)40-27(38)25(28(39)41-32(4,5)6)26-33-29(36-21-15-7-8-16-22-36)35-30(34-26)37(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20,25H,7-8,15-16,21-22H2,1-6H3
InChIKey
UFZKSUSQLROWRS-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCCC4)C(=O)OC(C)(C)C
DITERTBUTYL(4(AZEPAN1YL)6(DIPHENYLAMINO)135TRIAZIN2YL)PROPANEDIOATE
DITERTBUTYL2(4(AZEPAN1YL)6(NPHENYLANILINO)135TRIAZIN2YL)PROPANEDIOATE
DITERTBUTYL2(6AZAPERHYDROEPINYL4(DIPHENYLAMINO)135TRIAZIN2YL)PROPANE13DIOATE
InChI=1SC32H41N5O4c131(23)4027(38)25(28(39)4132(45)6)263329(36211578162236)3530(3426)37(2317119121823)24191310142024h914172025H7815162122H216H3
MFCD01304184
O=C(C(C(=O)OC(C)(C)C)c1nc(nc(n1)N(c1ccccc1)c1ccccc1)N1CCCCCC1)OC(C)(C)C
STK018828
ZINC000006075192
ZINC6075192

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.