Vitas-M small molecule compound

1-[4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one

Catalog ID
STL002452
SMILES CCC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

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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 C26H24Cl2N2O MW 451.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24Cl2N2O/c1-3-23(31)25-24(17-9-7-16(2)8-10-17)19-6-4-5-13-29-22(15-30(25)26(19)29)18-11-12-20(27)21(28)14-18/h7-12,14-15H,3-6,13H2,1-2H3
InChIKey
IPRHITQHNUNMQZ-UHFFFAOYSA-N
Synonyms
844827-95-8
1(4(34dichlorophenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
1(4(34dichlorophenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
844827958
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C
InChI=1SC26H24Cl2N2Oc1323(31)2524(179716(2)81017)19645132922(1530(25)26(19)29)18111220(27)21(28)1418h7121415H3613H212H3
MFCD04161494
ZINC000002406551
ZINC02406551
ZINC2406551

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Available files

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