Vitas-M small molecule compound

1-[4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one

Catalog ID
STL005405
SMILES CCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)C

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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 C26H26N2O MW 382.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O/c1-3-23(29)25-24(20-9-5-4-6-10-20)21-11-7-8-16-27-22(17-28(25)26(21)27)19-14-12-18(2)13-15-19/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3
InChIKey
BGAXUCGWQOOHLB-UHFFFAOYSA-N
Synonyms
500276-22-2
1(1phenyl4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
1(4(4methylphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
500276222
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)C)C5=CC=CC=C5
InChI=1SC26H26N2Oc1323(29)2524(2095461020)211178162722(1728(25)26(21)27)19141218(2)131519h46910121517H3781116H212H3
MFCD03303257
ZINC000005478611
ZINC05478611
ZINC5478611

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Available files

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