Vitas-M small molecule compound

N-[(2E)-3-cyano-10-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-triethoxybenzamide

Catalog ID
STK872687
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c/1\c(C#N)cc2c(n1CC1CCCO1)nc1n(c2=O)cccc1C

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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 C31H33N5O6 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O6/c1-5-39-24-15-20(16-25(40-6-2)26(24)41-7-3)30(37)34-28-21(17-32)14-23-29(36(28)18-22-11-9-13-42-22)33-27-19(4)10-8-12-35(27)31(23)38/h8,10,12,14-16,22H,5-7,9,11,13,18H2,1-4H3/b34-28+
InChIKey
ACAKDQLLIHSNAS-CDSHQWRTSA-N
Synonyms

(E)N(3cyano10methyl5oxo1((tetrahydrofuran2yl)methyl)1Hdipyrido(12a23d)pyrimidin2(5H)ylidene)345triethoxybenzamide
MFCD05727078
N((2E)3cyano10methyl5oxo1(tetrahydrofuran2ylmethyl)15dihydro2Hdipyrido(12a23d)pyrimidin2ylidene)345triethoxybenzamide
ZINC000097965085
ZINC000097965086

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Available files

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