Vitas-M small molecule compound
3,3-dimethyl-10-(3-methylbutanoyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL023709
SMILES CC(CC(=O)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(C)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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-16(2)12-23(31)28-21-11-6-5-10-19(21)27-20-14-26(3,4)15-22(30)24(20)25(28)17-8-7-9-18(13-17)29(32)33/h5-11,13,16,25,27H,12,14-15H2,1-4H3InChIKey
VUJKUSLQOGJVTJ-UHFFFAOYSA-NSynonyms
351163-09-233dimethyl10(3methylbutanoyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
351163092
99dimethyl5(3methylbutanoyl)6(3nitrophenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(C)CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=CC=C4)(N+)(=O)(O)
CC(CC(=O)N1C(c2cccc(c2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)C
InChI=1SC26H29N3O4c116(2)1223(31)282111651019(21)27201426(34)1522(30)24(20)25(28)1787918(1317)29(32)33h51113162527H121415H214H3
MFCD01954518
ZINC000017163298
ZINC000017163301
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