Vitas-M small molecule compound
3-(4-tert-butylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677989
SMILES COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)/C=C/c1ccccc1)cccc2
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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 C41H42N2O5 MW 642.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H42N2O5/c1-41(2,3)30-19-17-27(18-20-30)28-22-32-38(34(44)23-28)39(29-24-35(46-4)40(48-6)36(25-29)47-5)43(33-15-11-10-14-31(33)42-32)37(45)21-16-26-12-8-7-9-13-26/h7-21,24-25,28,39,42H,22-23H2,1-6H3/b21-16+InChIKey
PPJAPOVNCNPISZ-LTGZKZEYSA-NSynonyms
3(4tertbutylphenyl)10((2E)3phenylprop2enoyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)5((E)3phenylprop2enoyl)6(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C=CC5=CC=CC=C5)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)C2
COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C=Cc1ccccc1)cccc2
InChI=1SC41H42N2O5c141(23)30191727(182030)28223238(34(44)2328)39(292435(464)40(486)36(2529)475)43(331511101431(33)4232)37(45)211626128791326h7212425283942H2223H216H3b2116+
MFCD03036187
ZINC000150376320
ZINC000150376326
Check stock
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Check stock on Vitas-MAvailable files
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