Vitas-M small molecule compound
4-bromo-N-[(1'Z)-6',7'-dimethoxy-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidene]aniline
Catalog ID
STK721774
SMILES COc1cc2/C(=N/c3ccc(cc3)Br)/NC3(Cc2cc1OC)CCCC3
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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 C21H23BrN2O2 MW 415.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O2/c1-25-18-11-14-13-21(9-3-4-10-21)24-20(17(14)12-19(18)26-2)23-16-7-5-15(22)6-8-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,24)InChIKey
JIZCQADYUUWYKP-UHFFFAOYSA-NSynonyms
4BROMON((1Z)67DIMETHOXY2HSPIRO(CYCLOPENTANE13ISOQUINOLIN)1(4H)YLIDENE)ANILINE
COC1=C(C=C2C(=C1)CC3(CCCC3)N=C2NC4=CC=C(C=C4)Br)OC
COc1cc2C(=Nc3ccc(cc3)Br)NC3(Cc2cc1OC)CCCC3
InChI=1SC21H23BrN2O2c1251811141321(9341021)2420(17(14)1219(18)262)23167515(22)6816h581112H3491013H212H3(H2324)
MFCD02128143
N(4BROMOPHENYL)67DIMETHOXYSPIRO(4HISOQUINOLINE31CYCLOPENTANE)1AMINE
ZINC000001438368
ZINC01438368
ZINC1438368
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