Vitas-M small molecule compound

methyl 4-[1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl]benzoate

Catalog ID
STK133578
SMILES COC(=O)c1ccc(cc1)C1N(CCCN1Cc1ccc(cc1)OC)Cc1ccc(cc1)OC

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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 C28H32N2O4 MW 460.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4/c1-32-25-13-5-21(6-14-25)19-29-17-4-18-30(20-22-7-15-26(33-2)16-8-22)27(29)23-9-11-24(12-10-23)28(31)34-3/h5-16,27H,4,17-20H2,1-3H3
InChIKey
YTCUXYITSSROMH-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CN2CCCN(C2C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OC
InChI=1SC28H32N2O4c1322513521(61425)19291741830(202271526(332)16822)27(29)2391124(121023)28(31)343h51627H41720H213H3
METHYL4(13BIS((4METHOXYPHENYL)METHYL)13DIAZINAN2YL)BENZOATE
METHYL4(13BIS(4METHOXYBENZYL)HEXAHYDROPYRIMIDIN2YL)BENZOATE
MFCD03175113
ZINC000019330648
ZINC19330648

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Available files

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