Vitas-M small molecule compound

2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide

Catalog ID
STK769985
SMILES O=C1CC(C)(C)CC(=C1C(=S)Nc1ccccc1)NCCc1c[nH]c2c1cccc2

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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 C25H27N3OS MW 417.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3OS/c1-25(2)14-21(26-13-12-17-16-27-20-11-7-6-10-19(17)20)23(22(29)15-25)24(30)28-18-8-4-3-5-9-18/h3-11,16,26-27H,12-15H2,1-2H3,(H,28,30)
InChIKey
BANSENSAGYJFBS-UHFFFAOYSA-N
Synonyms

2((2(1Hindol3yl)ethyl)amino)44dimethyl6oxoNphenylcyclohex1ene1carbothioamide
2(2(1HINDOL3YL)ETHYLAMINO)44DIMETHYL6OXONPHENYLCYCLOHEXENE1CARBOTHIOAMIDE
CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCCC3=CNC4=CC=CC=C43)C
InChI=1SC25H27N3OSc125(2)1421(2613121716272011761019(17)20)23(22(29)1525)24(30)28188435918h311162627H1215H212H3(H2830)
MFCD03763918
O=C1CC(C)(C)CC(=C1C(=S)Nc1ccccc1)NCCc1c(nH)c2c1cccc2
ZINC000000720087
ZINC00720087
ZINC720087

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Available files

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