Vitas-M small molecule compound

N-benzyl-4-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

Catalog ID
STL006753
SMILES Clc1ccc(cc1)c1c(C(=S)NCc2ccccc2)n2c3c1CCCCn3c(n2)c1ccc(cc1)C

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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 C30H27ClN4S MW 511.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4S/c1-20-10-12-23(13-11-20)28-33-35-27(29(36)32-19-21-7-3-2-4-8-21)26(22-14-16-24(31)17-15-22)25-9-5-6-18-34(28)30(25)35/h2-4,7-8,10-17H,5-6,9,18-19H2,1H3,(H,32,36)
InChIKey
OQNWEEPNPBDONR-UHFFFAOYSA-N
Synonyms
540774-30-9
540774309
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NCC6=CC=CC=C6
InChI=1SC30H27ClN4Sc120101223(131120)28333527(29(36)3219217324821)26(22141624(31)171522)259561834(28)30(25)35h24781017H5691819H21H3(H3236)
MFCD03460696
Nbenzyl1(4chlorophenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
Nbenzyl4(4chlorophenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000002245693
ZINC02245693
ZINC2245693

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Available files

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