Vitas-M small molecule compound
3,3-dimethyl-11-(6-nitro-1,3-benzodioxol-5-yl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK021200
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1cc2OCOc2cc1[N+](=O)[O-]
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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 C29H25N3O6 MW 511.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O6/c1-29(2)13-21-26(23(33)14-29)27(18-11-24-25(38-15-37-24)12-22(18)32(35)36)31-19-9-8-17(10-20(19)30-21)28(34)16-6-4-3-5-7-16/h3-12,27,30-31H,13-15H2,1-2H3InChIKey
VKSOLNVBKWPCMW-UHFFFAOYSA-NSynonyms
2benzoyl99dimethyl6(6nitro13benzodioxol5yl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
33dimethyl11(6nitro13benzodioxol5yl)7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C1)C
InChI=1SC29H25N3O6c129(2)132126(23(33)1429)27(18112425(38153724)1222(18)32(35)36)31199817(1020(19)3021)28(34)166435716h312273031H1315H212H3
MFCD08049859
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1cc2OCOc2cc1(N+)(=O)(O)
STK021200
ZINC000008986511
ZINC000008986514
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