Vitas-M small molecule compound

1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-{1-[4-(2-methylpropyl)phenyl]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Catalog ID
STK271857
SMILES CC(Cc1ccc(cc1)C(c1nnc(n1c1ccccc1)SCC(=O)N1c2ccccc2CCc2c1cccc2)C)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 C36H36N4OS MW 572.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N4OS/c1-25(2)23-27-17-19-28(20-18-27)26(3)35-37-38-36(39(35)31-13-5-4-6-14-31)42-24-34(41)40-32-15-9-7-11-29(32)21-22-30-12-8-10-16-33(30)40/h4-20,25-26H,21-24H2,1-3H3
InChIKey
WPEIJOUHFCYRQN-UHFFFAOYSA-N
Synonyms

1(1011dihydro5Hdibenzo(bf)azepin5yl)2((5(1(4(2methylpropyl)phenyl)ethyl)4phenyl4H124triazol3yl)sulfanyl)ethanone
1(56DIHYDROBENZO(B)(1)BENZAZEPIN11YL)2((5(1(4(2METHYLPROPYL)PHENYL)ETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
CC(C)CC1=CC=C(C=C1)C(C)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5CCC6=CC=CC=C64
InChI=1SC36H36N4OSc125(2)2327171928(201827)26(3)35373836(39(35)31135461431)422434(41)403215971129(32)212230128101633(30)40h4202526H2124H213H3
MFCD05857669
ZINC000098007306
ZINC000098007307

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Available files

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