Vitas-M small molecule compound
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403230
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1Nc2ccccc2NC2=C1C(=O)CC(C2)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 C24H21N3O5S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S/c1-32-20-12-14(10-18(24(20)29)27(30)31)23-22-17(25-15-5-2-3-6-16(15)26-23)9-13(11-19(22)28)21-7-4-8-33-21/h2-8,10,12-13,23,25-26,29H,9,11H2,1H3InChIKey
AIMNKVMKKRXZCZ-UHFFFAOYSA-NSynonyms
11(4hydroxy3methoxy5nitrophenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4hydroxy3methoxy5nitrophenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2
COc1cc(cc(c1O)(N+)(=O)(O))C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cccs1
InChI=1SC24H21N3O5Sc132201214(1018(24(20)29)27(30)31)232217(2515523616(15)2623)913(1119(22)28)217483321h2810121323252629H911H21H3
MFCD03312459
ZINC000015277505
ZINC000015277511
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