Vitas-M small molecule compound
5-(2,3-dichlorophenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK761701
SMILES N#CC1=c2[nH]c(=O)c3c(n2C2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2)sc1c3CCCCC1
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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 C26H21Cl2N3O2S MW 510.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Cl2N3O2S/c27-16-8-4-7-14(23(16)28)20-15(12-29)24-30-25(33)21-13-6-2-1-3-11-19(13)34-26(21)31(24)17-9-5-10-18(32)22(17)20/h4,7-8,20H,1-3,5-6,9-11H2,(H,30,33)InChIKey
ATBCCWUNPJGMBR-UHFFFAOYSA-NSynonyms
5(23dichlorophenyl)48dioxo13457810111213decahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CCC2=C(CC1)SC3=C2C(=O)NC4=C(C(C5=C(N43)CCCC5=O)C6=C(C(=CC=C6)Cl)Cl)C#N
InChI=1SC26H21Cl2N3O2Sc271684714(23(16)28)2015(1229)243025(33)211362131119(13)3426(21)31(24)17951018(32)22(17)20h47820H1356911H2(H3033)
MFCD01925881
N#CC1=c2(nH)c(=O)c3c(n2C2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2)sc1c3CCCCC1
ZINC000002185993
ZINC000002185994
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