Vitas-M small molecule compound
11-(4-hydroxy-3-iodo-5-methoxyphenyl)-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK142717
SMILES COc1cc(cc(c1O)I)C1Nc2ccc(cc2NC2=C1C(=O)CC(C2)(C)C)C(=O)c1ccccc1
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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 C29H27IN2O4 MW 594.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27IN2O4/c1-29(2)14-22-25(23(33)15-29)26(18-11-19(30)28(35)24(13-18)36-3)32-20-10-9-17(12-21(20)31-22)27(34)16-7-5-4-6-8-16/h4-13,26,31-32,35H,14-15H2,1-3H3InChIKey
QHDZOUXNYRICSH-UHFFFAOYSA-NSynonyms
11(4hydroxy3iodo5methoxyphenyl)33dimethyl7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(4hydroxy3iodo5methoxyphenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
7benzoyl11(4hydroxy3iodo5methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC(=C(C(=C5)I)O)OC)C(=O)C1)C
InChI=1SC29H27IN2O4c129(2)142225(23(33)1529)26(181119(30)28(35)24(1318)363)322010917(1221(20)3122)27(34)167546816h41326313235H1415H213H3
MFCD02214800
ZINC000059738348
ZINC000059738353
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