Vitas-M small molecule compound

4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide

Catalog ID
STL005805
SMILES CCCNC(=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 C27H27Cl2N3O MW 480.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2N3O/c1-3-13-30-26(33)25-24(18-9-7-17(2)8-10-18)20-6-4-5-14-31-23(16-32(25)27(20)31)19-11-12-21(28)22(29)15-19/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,30,33)
InChIKey
QFCLGIVJGNWYAB-UHFFFAOYSA-N
Synonyms
848690-33-5
4(34dichlorophenyl)1(4methylphenyl)Npropyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
4(34dichlorophenyl)Npropyl1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
848690335
CCCNC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C
InChI=1SC27H27Cl2N3Oc13133026(33)2524(189717(2)81018)20645143123(1632(25)27(20)31)19111221(28)22(29)1519h7121516H361314H212H3(H3033)
MFCD04192562
ZINC000009209658
ZINC09209658
ZINC9209658

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Available files

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