Vitas-M small molecule compound

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

Catalog ID
STK768994
SMILES Fc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)C)n2c3c1CCCCn3c(n2)COc1ccccc1

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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 C30H27FN4OS MW 510.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN4OS/c1-20-10-16-23(17-11-20)32-29(37)28-27(21-12-14-22(31)15-13-21)25-9-5-6-18-34-26(33-35(28)30(25)34)19-36-24-7-3-2-4-8-24/h2-4,7-8,10-17H,5-6,9,18-19H2,1H3,(H,32,37)
InChIKey
CMCBMEHAJIGUJA-UHFFFAOYSA-N
Synonyms

4(4fluorophenyl)N(4methylphenyl)1(phenoxymethyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
CC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)COC5=CC=CC=C5)C6=CC=C(C=C6)F
InChI=1SC30H27FN4OSc120101623(171120)3229(37)2827(21121422(31)151321)25956183426(3335(28)30(25)34)1936247324824h24781017H5691819H21H3(H3237)
MFCD03408260
ZINC000002192665
ZINC02192665
ZINC2192665

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Available files

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