Vitas-M small molecule compound
N-benzyl-4-{[(3-chloro-2-methylphenyl)amino]methyl}-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK687881
SMILES Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)NCc1ccccc1)cc3CNc1cccc(c1C)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 C32H30Cl2N4S MW 573.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30Cl2N4S/c1-21-27(34)11-7-12-28(21)35-19-25-20-38-30(31(39)36-18-22-8-3-2-4-9-22)29(23-13-15-24(33)16-14-23)26-10-5-6-17-37(25)32(26)38/h2-4,7-9,11-16,20,35H,5-6,10,17-19H2,1H3,(H,36,39)InChIKey
LFQYXVQEIGTUKB-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NCC2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NCC6=CC=CC=C6
InChI=1SC32H30Cl2N4Sc12127(34)1171228(21)351925203830(31(39)3618228324922)29(23131524(33)161423)2610561737(25)32(26)38h247911162035H56101719H21H3(H3639)
MFCD07022212
Nbenzyl4(((3chloro2methylphenyl)amino)methyl)1(4chlorophenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000098008888
ZINC98008888
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