Vitas-M small molecule compound
2-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK687270
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)C(=O)CC(C2)(C)C)c1cccc(c1)Cl
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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 C30H25ClN4OS3 MW 589.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4OS3/c1-30(2)12-22-27(23(36)13-30)26(20(14-32)28(33)35(22)19-7-5-6-18(31)11-19)25-10-17(15-37-25)16-38-29-34-21-8-3-4-9-24(21)39-29/h3-11,15,26H,12-13,16,33H2,1-2H3InChIKey
XLEXHAQFCROIEV-UHFFFAOYSA-NSynonyms
2amino4(4((13benzothiazol2ylsulfanyl)methyl)thiophen2yl)1(3chlorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4(13BENZOTHIAZOL2YLSULFANYLMETHYL)THIOPHEN2YL)1(3CHLOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CSC5=NC6=CC=CC=C6S5)C(=O)C1)C
InChI=1SC30H25ClN4OS3c130(2)122227(23(36)1330)26(20(1432)28(33)35(22)1975618(31)1119)251017(153725)1638293421834924(21)3929h3111526H12131633H212H3
MFCD06618095
ZINC000098008228
ZINC000098008229
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