Vitas-M small molecule compound

tri-tert-butyl (2E,2'E,2''E)-2,2',2''-(1,3,5-triazinane-2,4,6-triylidene)tris(3-oxobutanoate)

Catalog ID
STK000952
SMILES CC(=O)/C(=c\1/[nH]/c(=C(/C(=O)OC(C)(C)C)\C(=O)C)/[nH]/c(=C(/C(=O)OC(C)(C)C)\C(=O)C)/[nH]1)/C(=O)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 C27H39N3O9 MW 549.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O9/c1-13(31)16(22(34)37-25(4,5)6)19-28-20(17(14(2)32)23(35)38-26(7,8)9)30-21(29-19)18(15(3)33)24(36)39-27(10,11)12/h28-30H,1-12H3/b19-16-,20-17+,21-18-
InChIKey
DKDZOIGTTFKJDO-DOLVMFBSSA-N
Synonyms

CC(=O)C(=c1(nH)c(=C(C(=O)OC(C)(C)C)C(=O)C)(nH)c(=C(C(=O)OC(C)(C)C)C(=O)C)(nH)1)C(=O)OC(C)(C)C
MFCD01459944
STK000952
tritertbutyl(2E2E2E)222(135triazinane246triylidene)tris(3oxobutanoate)
ZINC000033355453

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Available files

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