Vitas-M small molecule compound
2-[(4-bromophenyl)amino]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Catalog ID
STL346921
SMILES COc1cc2c(cc1OC)CCn1c2cc(Nc2ccc(cc2)Br)nc1=O
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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 C20H18BrN3O3 MW 428.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O3/c1-26-17-9-12-7-8-24-16(15(12)10-18(17)27-2)11-19(23-20(24)25)22-14-5-3-13(21)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,22,23,25)InChIKey
KTFTVRCEBOSNJP-UHFFFAOYSA-NSynonyms
849000-47-12((4bromophenyl)amino)910dimethoxy67dihydro4Hpyrimido(61a)isoquinolin4one
2(4BROMOANILINO)910DIMETHOXY67DIHYDROPYRIMIDO(61A)ISOQUINOLIN4ONE
849000471
COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=C(C=C4)Br)OC
InChI=1SC20H18BrN3O3c12617912782416(15(12)1018(17)272)1119(2320(24)25)22145313(21)4614h36911H78H212H3(H222325)
MFCD05679823
ZINC000002449142
ZINC02449142
ZINC2449142
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