Vitas-M small molecule compound
11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403435
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Cl)c(c(c1)OC)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 C29H29ClN2O5 MW 521.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O5/c1-4-37-24-10-9-16(14-25(24)35-2)17-12-22-27(23(33)13-17)28(32-21-8-6-5-7-20(21)31-22)18-11-19(30)29(34)26(15-18)36-3/h5-11,14-15,17,28,31-32,34H,4,12-13H2,1-3H3InChIKey
HYGLBOITTUWDHO-UHFFFAOYSA-NSynonyms
11(3chloro4hydroxy5methoxyphenyl)3(4ethoxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3chloro4hydroxy5methoxyphenyl)9(4ethoxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)C2)OC
InChI=1SC29H29ClN2O5c14372410916(1425(24)352)17122227(23(33)1317)28(3221865720(21)3122)181119(30)29(34)26(1518)363h51114151728313234H41213H213H3
MFCD03489269
ZINC000000729500
ZINC000000729503
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