Vitas-M small molecule compound

3-(4-methoxyphenyl)-4a-phenyl-1-thioxo-1,2,4a,5-tetrahydropyrimido[1,6-a]benzimidazole-7,8-dicarbonitrile

Catalog ID
STL434037
SMILES COc1ccc(cc1)C1=CC2(N(C(=S)N1)c1c(N2)cc(c(c1)C#N)C#N)c1ccccc1

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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 C25H17N5OS MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N5OS/c1-31-20-9-7-16(8-10-20)22-13-25(19-5-3-2-4-6-19)29-21-11-17(14-26)18(15-27)12-23(21)30(25)24(32)28-22/h2-13,29H,1H3,(H,28,32)
InChIKey
MXJBEYXPLOJJMA-UHFFFAOYSA-N
Synonyms

3(4methoxyphenyl)4aphenyl1sulfanylidene25dihydropyrimido(16a)benzimidazole78dicarbonitrile
3(4methoxyphenyl)4aphenyl1thioxo124a5tetrahydropyrimido(16a)benzimidazole78dicarbonitrile
COC1=CC=C(C=C1)C2=CC3(NC4=C(N3C(=S)N2)C=C(C(=C4)C#N)C#N)C5=CC=CC=C5
InChI=1SC25H17N5OSc131209716(81020)221325(195324619)29211117(1426)18(1527)1223(21)30(25)24(32)2822h21329H1H3(H2832)
MFCD26098400
ZINC000085408669
ZINC000085408672

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Available files

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