Vitas-M small molecule compound
2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK684963
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1cn(nc1c1ccccc1)Cc1ccc(cc1Cl)Cl)C(=O)CCC2
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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 C31H27Cl2N7OS2 MW 648.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N7OS2/c1-17(2)42-31-37-36-30(43-31)40-24-9-6-10-25(41)27(24)26(21(14-34)29(40)35)22-16-39(15-19-11-12-20(32)13-23(19)33)38-28(22)18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,26H,6,9-10,15,35H2,1-2H3InChIKey
KLVAWFYVJSXVME-UHFFFAOYSA-NSynonyms
2amino4(1((24dichlorophenyl)methyl)3phenylpyrazol4yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
2amino4(1(24dichlorobenzyl)3phenyl1Hpyrazol4yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CN(N=C4C5=CC=CC=C5)CC6=C(C=C(C=C6)Cl)Cl)C(=O)CCC3
InChI=1SC31H27Cl2N7OS2c117(2)4231373630(4331)4024961025(41)27(24)26(21(1434)29(40)35)221639(1519111220(32)1323(19)33)3828(22)187435818h35781113161726H69101535H212H3
MFCD05856674
ZINC000098007238
ZINC000098007239
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