Vitas-M small molecule compound
methyl 3-methyl-11-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK056877
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)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 C23H21N3O7 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7/c1-11-7-15-20(22(27)19(11)23(28)31-2)21(25-14-6-4-3-5-13(14)24-15)12-8-17-18(33-10-32-17)9-16(12)26(29)30/h3-6,8-9,11,19,21,24-25H,7,10H2,1-2H3InChIKey
IXVAVZCUSOQYEZ-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC23H21N3O7c11171520(22(27)19(11)23(28)312)21(2514643513(14)2415)1281718(33103217)916(12)26(29)30h36891119212425H710H212H3
methyl3methyl11(6nitro13benzodioxol5yl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl9methyl6(6nitro13benzodioxol5yl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632451
STK056877
ZINC000001135461
ZINC000101906548
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