Vitas-M small molecule compound

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

Catalog ID
STK058299
SMILES O=C(C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)Cl)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)Cl)(C(=O)OC(C)(C)C)Cl)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 C36H54Cl3N3O12 MW 827.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54Cl3N3O12/c1-28(2,3)49-22(43)34(37,23(44)50-29(4,5)6)19-40-20(35(38,24(45)51-30(7,8)9)25(46)52-31(10,11)12)42-21(41-19)36(39,26(47)53-32(13,14)15)27(48)54-33(16,17)18/h1-18H3
InChIKey
LHKZZVYYGYVVTE-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)Cl)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)Cl)(C(=O)OC(C)(C)C)Cl
DITERTBUTYL2(46BIS(2CHLORO13BIS((2METHYLPROPAN2YL)OXY)13DIOXOPROPAN2YL)135TRIAZIN2YL)2CHLOROPROPANEDIOATE
HEXATERTBUTYL222(135TRIAZINE246TRIYL)TRIS(CHLOROPROPANEDIOATE)
InChI=1SC36H54Cl3N3O12c128(23)4922(43)34(3723(44)5029(45)6)194020(35(3824(45)5130(78)9)25(46)5231(1011)12)4221(4119)36(3926(47)5332(1314)15)27(48)5433(1617)18h118H3
MFCD00301996
O=C(C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)Cl)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)Cl)(C(=O)OC(C)(C)C)Cl)OC(C)(C)C
STK058299
ZINC000095100400
ZINC95100400

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Available files

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