Vitas-M small molecule compound
11-(6-nitro-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK031439
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1[N+](=O)[O-])c1cccs1
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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 C24H19N3O5S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5S/c28-19-9-13(22-6-3-7-33-22)8-17-23(19)24(26-16-5-2-1-4-15(16)25-17)14-10-20-21(32-12-31-20)11-18(14)27(29)30/h1-7,10-11,13,24-26H,8-9,12H2InChIKey
TURWHGHIEWYKLD-UHFFFAOYSA-NSynonyms
11(6nitro13benzodioxol5yl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6nitro13benzodioxol5yl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C6=CC=CS6
InChI=1SC24H19N3O5Sc2819913(226373322)81723(19)24(2616521415(16)2517)14102021(32123120)1118(14)27(29)30h171011132426H8912H2
MFCD03409168
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1(N+)(=O)(O))c1cccs1
STK031439
ZINC000001071768
ZINC000008846693
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