Vitas-M small molecule compound

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

Catalog ID
STL004471
SMILES CCCNC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)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 C27H28ClN3O2 MW 461.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O2/c1-3-15-29-26(32)25-24(19-7-11-20(28)12-8-19)22-6-4-5-16-30-23(17-31(25)27(22)30)18-9-13-21(33-2)14-10-18/h7-14,17H,3-6,15-16H2,1-2H3,(H,29,32)
InChIKey
CYMHDOGACNGEBZ-UHFFFAOYSA-N
Synonyms
844454-65-5
1(4chlorophenyl)4(4methoxyphenyl)Npropyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
844454655
CCCNC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl
InChI=1SC27H28ClN3O2c13152926(32)2524(1971120(28)12819)22645163023(1731(25)27(22)30)1891321(332)141018h71417H361516H212H3(H2932)
MFCD04157369
ZINC000002402854
ZINC02402854
ZINC2402854

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Available files

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