Vitas-M small molecule compound

4-(11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-4-oxobutanoic acid

Catalog ID
STK149717
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(Nc3c(N1C(=O)CCC(=O)O)cccc3)CC(CC2=O)(C)C

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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 C34H35ClN2O6 MW 603.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35ClN2O6/c1-4-42-29-17-22(11-14-28(29)43-20-21-9-12-23(35)13-10-21)33-32-25(18-34(2,3)19-27(32)38)36-24-7-5-6-8-26(24)37(33)30(39)15-16-31(40)41/h5-14,17,33,36H,4,15-16,18-20H2,1-3H3,(H,40,41)
InChIKey
IHWWJMMQPYLNCC-UHFFFAOYSA-N
Synonyms
757212-55-8
4(11(4((4chlorobenzyl)oxy)3ethoxyphenyl)33dimethyl1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(11(4((4chlorobenzyl)oxy)3ethoxyphenyl)33dimethyl1oxo34dihydro1Hdibenzo(be)(14)diazepin10(2H5H11H)yl)4oxobutanoicacid
4(6(4((4chlorophenyl)methoxy)3ethoxyphenyl)99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
757212558
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)CCC(=O)O)OCC5=CC=C(C=C5)Cl
InChI=1SC34H35ClN2O6c1442291722(111428(29)43202191223(35)131021)333225(1834(23)1927(32)38)3624756826(24)37(33)30(39)151631(40)41h514173336H415161820H213H3(H4041)
MFCD03613037
ZINC000097960010
ZINC000097960011

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Available files

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