Vitas-M small molecule compound

4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

Catalog ID
STK768982
SMILES CCc1ccc(cc1)c1c(C(=S)Nc2ccccc2)n2c3c1CCCCn3c(n2)c1ccc(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 C31H30N4OS MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4OS/c1-3-21-12-14-22(15-13-21)27-26-11-7-8-20-34-29(23-16-18-25(36-2)19-17-23)33-35(31(26)34)28(27)30(37)32-24-9-5-4-6-10-24/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,37)
InChIKey
HYTDDWWPRTXFGH-UHFFFAOYSA-N
Synonyms
524036-79-1
1(4ethylphenyl)4(4methoxyphenyl)Nphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4ethylphenyl)1(4methoxyphenyl)Nphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
524036791
CCC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6
InChI=1SC31H30N4OSc1321121422(151321)27261178203429(23161825(362)191723)3335(31(26)34)28(27)30(37)322495461024h469101219H3781120H212H3(H3237)
MFCD03408239
ZINC000002192658
ZINC02192658
ZINC2192658

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Available files

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