Vitas-M small molecule compound

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

Catalog ID
STK594254
SMILES CCc1ccc(cc1)c1c(C(=O)Nc2ccccc2)n2c3c1CCCCn3c(c2)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 C32H31N3O2 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O2/c1-3-22-12-14-24(15-13-22)29-27-11-7-8-20-34-28(23-16-18-26(37-2)19-17-23)21-35(32(27)34)30(29)31(36)33-25-9-5-4-6-10-25/h4-6,9-10,12-19,21H,3,7-8,11,20H2,1-2H3,(H,33,36)
InChIKey
PAWIDGPPCJKXKZ-UHFFFAOYSA-N
Synonyms
896168-87-9
1(4ethylphenyl)4(4methoxyphenyl)Nphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896168879
CCC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6
InChI=1SC32H31N3O2c1322121424(151322)29271178203428(23161826(372)191723)2135(32(27)34)30(29)31(36)332595461025h46910121921H3781120H212H3(H3336)
MFCD06603166
ZINC000002237535
ZINC02237535
ZINC2237535

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Available files

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