Vitas-M small molecule compound

10-acetyl-11-(3-acetyl-4-hydroxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK959057
SMILES O=C1CC(C)(C)CC2=C1C(c1cc([N+](=O)[O-])c(c(c1)C(=O)C)O)N(C(=O)C)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 C25H25N3O6 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6/c1-13(29)16-9-15(10-20(24(16)32)28(33)34)23-22-18(11-25(3,4)12-21(22)31)26-17-7-5-6-8-19(17)27(23)14(2)30/h5-10,23,26,32H,11-12H2,1-4H3
InChIKey
CSKWGASDYFNHEZ-UHFFFAOYSA-N
Synonyms
438528-33-7
10acetyl11(3acetyl4hydroxy5nitrophenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438528337
5acetyl6(3acetyl4hydroxy5nitrophenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)C1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C
InChI=1SC25H25N3O6c113(29)16915(1020(24(16)32)28(33)34)232218(1125(34)1221(22)31)2617756819(17)27(23)14(2)30h510232632H1112H214H3
MFCD01922858
O=C1CC(C)(C)CC2=C1C(c1cc((N+)(=O)(O))c(c(c1)C(=O)C)O)N(C(=O)C)c1c(N2)cccc1
ZINC000013882123
ZINC000013882124

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Available files

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