Vitas-M small molecule compound

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

Catalog ID
STL135161
SMILES COc1ccc2c(c1)c1c(n2C)c(=O)n(c(=O)n1Cc1cccc(c1)C)CCc1ccccc1

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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 C28H27N3O3 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3/c1-19-8-7-11-21(16-19)18-31-25-23-17-22(34-3)12-13-24(23)29(2)26(25)27(32)30(28(31)33)15-14-20-9-5-4-6-10-20/h4-13,16-17H,14-15,18H2,1-3H3
InChIKey
IRSHNBOUGRYCKV-UHFFFAOYSA-N
Synonyms

8methoxy5methyl1((3methylphenyl)methyl)3(2phenylethyl)pyrimido(54b)indole24dione
8methoxy5methyl1(3methylbenzyl)3(2phenylethyl)1Hpyrimido(54b)indole24(3H5H)dione
CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C
InChI=1SC28H27N3O3c119871121(1619)183125231722(343)121324(23)29(2)26(25)27(32)30(28(31)33)15142095461020h4131617H141518H213H3
MFCD14914352
ZINC000008591798
ZINC8591798

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Available files

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