Vitas-M small molecule compound

3-benzyl-8-methoxy-5-methyl-1-(3-methylbenzyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

Catalog ID
STL135155
SMILES COc1ccc2c(c1)c1c(n2C)c(=O)n(c(=O)n1Cc1cccc(c1)C)Cc1ccccc1

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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 C27H25N3O3 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3/c1-18-8-7-11-20(14-18)17-29-24-22-15-21(33-3)12-13-23(22)28(2)25(24)26(31)30(27(29)32)16-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3
InChIKey
MQDBNYKNSYMYPA-UHFFFAOYSA-N
Synonyms

3benzyl8methoxy5methyl1((3methylphenyl)methyl)pyrimido(54b)indole24dione
3benzyl8methoxy5methyl1(3methylbenzyl)1Hpyrimido(54b)indole24(3H5H)dione
CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C
InChI=1SC27H25N3O3c118871120(1418)172924221521(333)121323(22)28(2)25(24)26(31)30(27(29)32)161995461019h415H1617H213H3
MFCD14914330
ZINC000009153813
ZINC9153813

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Available files

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