Vitas-M small molecule compound
4-[3-(4-tert-butylphenyl)-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Catalog ID
STK040813
SMILES OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)C(C)(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 C33H33N3O6 MW 567.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O6/c1-33(2,3)23-13-11-20(12-14-23)22-18-26-31(28(37)19-22)32(21-7-6-8-24(17-21)36(41)42)35(29(38)15-16-30(39)40)27-10-5-4-9-25(27)34-26/h4-14,17,22,32,34H,15-16,18-19H2,1-3H3,(H,39,40)InChIKey
VRQJMAFWZJYLJT-UHFFFAOYSA-NSynonyms
4(3(4(tertbutyl)phenyl)11(3nitrophenyl)1oxo34dihydro1Hdibenzo(be)(14)diazepin10(2H5H11H)yl)4oxobutanoicacid
4(3(4tertbutylphenyl)11(3nitrophenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4tertbutylphenyl)6(3nitrophenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C2
InChI=1SC33H33N3O6c133(23)23131120(121423)22182631(28(37)1922)32(2176824(1721)36(41)42)35(29(38)151630(39)40)271054925(27)3426h41417223234H15161819H213H3(H3940)
MFCD03488956
OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
STK040813
ZINC000001457583
ZINC000004618743
Check stock
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Check stock on Vitas-MAvailable files
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