Vitas-M small molecule compound
8-amino-5-(2,3-dimethoxyphenyl)-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK687563
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cccc(c1OC)OC)C(=O)CCC2)sc1c3C2CCN1CC2
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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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-35-19-8-3-5-15(24(19)36-2)21-16(13-29)26-31-25(30)23-20-14-9-11-32(12-10-14)27(20)37-28(23)33(26)17-6-4-7-18(34)22(17)21/h3,5,8,14,21H,4,6-7,9-12H2,1-2H3,(H2,30,31)InChIKey
YBXQIVZBFVTBSN-UHFFFAOYSA-NSynonyms
8amino5(23dimethoxyphenyl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
COC1=CC=CC(=C1OC)C2C(=C3N=C(C4=C(N3C5=C2C(=O)CCC5)SC6=C4C7CCN6CC7)N)C#N
InChI=1SC28H27N5O3Sc1351983515(24(19)362)2116(1329)263125(30)23201491132(121014)27(20)3728(23)33(26)1764718(34)22(17)21h3581421H467912H212H3(H23031)
MFCD06619139
ZINC000012371634
ZINC000012371635
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