Vitas-M small molecule compound

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

Catalog ID
STK581966
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1Cl)c1ccc(cc1)F

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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 C30H25ClFN3O2 MW 514.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClFN3O2/c1-37-22-15-11-19(12-16-22)26-18-35-28(29(36)33-25-8-3-2-7-24(25)31)27(20-9-13-21(32)14-10-20)23-6-4-5-17-34(26)30(23)35/h2-3,7-16,18H,4-6,17H2,1H3,(H,33,36)
InChIKey
ZVEKMAHYEMNGQD-UHFFFAOYSA-N
Synonyms
896076-66-7
896076667
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)F)C(=O)NC6=CC=CC=C6Cl
InChI=1SC30H25ClFN3O2c13722151119(121622)26183528(29(36)3325832724(25)31)27(2091321(32)141020)236451734(26)30(23)35h2371618H4617H21H3(H3336)
MFCD06593018
N(2chlorophenyl)1(4fluorophenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
ZINC000002440322
ZINC02440322
ZINC2440322

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Available files

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