Vitas-M small molecule compound

3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK868271
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(s1)[N+](=O)[O-])N(C(=O)c1ccccc1)c1c(N2)cccc1

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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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c1-26(2)14-18-23(20(30)15-26)24(21-12-13-22(34-21)29(32)33)28(19-11-7-6-10-17(19)27-18)25(31)16-8-4-3-5-9-16/h3-13,24,27H,14-15H2,1-2H3
InChIKey
CUGUQJIRBYUYNX-UHFFFAOYSA-N
Synonyms
362500-44-5
10benzoyl33dimethyl11(5nitrothiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl11(5nitrothiophen2yl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
362500445
5benzoyl99dimethyl6(5nitrothiophen2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(S5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC26H23N3O4Sc126(2)141823(20(30)1526)24(21121322(3421)29(32)33)28(1911761017(19)2718)25(31)168435916h3132427H1415H212H3
MFCD01810995
O=C1CC(C)(C)CC2=C1C(c1ccc(s1)(N+)(=O)(O))N(C(=O)c1ccccc1)c1c(N2)cccc1
ZINC000008994395
ZINC000008994397

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Available files

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