Vitas-M small molecule compound

N-cyclohexyl-2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

Catalog ID
STK513654
SMILES O=C(CN1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C)NC1CCCCC1

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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 C27H33N3O2S MW 463.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O2S/c1-27(2)15-20-25(22(31)16-27)26(23-13-8-14-33-23)30(21-12-7-6-11-19(21)29-20)17-24(32)28-18-9-4-3-5-10-18/h6-8,11-14,18,26,29H,3-5,9-10,15-17H2,1-2H3,(H,28,32)
InChIKey
LRCBVSUGHYQZMG-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC(=O)NC4CCCCC4)C5=CC=CS5)C(=O)C1)C
InChI=1SC27H33N3O2Sc127(2)152025(22(31)1627)26(23138143323)30(2112761119(21)2920)1724(32)281894351018h681114182629H359101517H212H3(H2832)
MFCD09666954
Ncyclohexyl2(33dimethyl1oxo11(thiophen2yl)1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)acetamide
Ncyclohexyl2(99dimethyl7oxo6thiophen2yl681011tetrahydrobenzo(b)(14)benzodiazepin5yl)acetamide
ZINC000014606474
ZINC000014606475

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Available files

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