Vitas-M small molecule compound

hexa-tert-butyl 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris(methylpropanedioate)

Catalog ID
STK098451
SMILES O=C(C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C)(C(=O)OC(C)(C)C)C)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 C39H63N3O12 MW 765.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H63N3O12/c1-31(2,3)49-25(43)37(19,26(44)50-32(4,5)6)22-40-23(38(20,27(45)51-33(7,8)9)28(46)52-34(10,11)12)42-24(41-22)39(21,29(47)53-35(13,14)15)30(48)54-36(16,17)18/h1-21H3
InChIKey
KLQNKZKKAIWVHO-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)C(C)(C1=NC(=NC(=N1)C(C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
DITERTBUTYL2(46BIS(2METHYL13BIS((2METHYLPROPAN2YL)OXY)13DIOXOPROPAN2YL)135TRIAZIN2YL)2METHYLPROPANEDIOATE
HEXATERTBUTYL222(135TRIAZINE246TRIYL)TRIS(METHYLPROPANEDIOATE)
InChI=1SC39H63N3O12c131(23)4925(43)37(1926(44)5032(45)6)224023(38(2027(45)5133(78)9)28(46)5234(1011)12)4224(4122)39(2129(47)5335(1314)15)30(48)5436(1617)18h121H3
MFCD00301995
O=C(C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C)(C(=O)OC(C)(C)C)C)OC(C)(C)C
STK098451
ZINC000095100399
ZINC95100399

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Available files

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