Vitas-M small molecule compound

N,N'-bis(4-bromophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)propanediamide

Catalog ID
STK529938
SMILES COc1cc2c(cc1OC)CC(N/C/2=C(\C(=O)Nc1ccc(cc1)Br)/C(=O)Nc1ccc(cc1)Br)(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 C28H27Br2N3O4 MW 629.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27Br2N3O4/c1-28(2)15-16-13-22(36-3)23(37-4)14-21(16)25(33-28)24(26(34)31-19-9-5-17(29)6-10-19)27(35)32-20-11-7-18(30)8-12-20/h5-14,33H,15H2,1-4H3,(H,31,34)(H,32,35)
InChIKey
FPLCBMKBXBTVGL-UHFFFAOYSA-N
Synonyms

2(67DIMETHOXY33DIMETHYL(234TRIHYDROISOQUINOLYLIDENE))N(4BROMOPHENYL)N(4BROMOPHENYL)PROPANE13DIAMIDE
CC1(CC2=CC(=C(C=C2C(=C(C(=O)NC3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)Br)N1)OC)OC)C
COc1cc2c(cc1OC)CC(NC2=C(C(=O)Nc1ccc(cc1)Br)C(=O)Nc1ccc(cc1)Br)(C)C
InChI=1SC28H27Br2N3O4c128(2)15161322(363)23(374)1421(16)25(3328)24(26(34)31199517(29)61019)27(35)322011718(30)81220h51433H15H214H3(H3134)(H3235)
MFCD00608448
N1N3bis(4bromophenyl)2(67dimethoxy33dimethyl34dihydroisoquinolin1(2H)ylidene)malonamide
NNBIS(4BROMOPHENYL)2(67DIMETHOXY33DIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)PROPANEDIAMIDE
NNbis(4bromophenyl)2(67dimethoxy33dimethyl34dihydroisoquinolin1(2H)ylidene)propanediamide
ZINC000150404094
ZINC150404094

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.