Vitas-M small molecule compound
methyl 4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK781011
SMILES COC(=O)C1=C(C)NC2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)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 C24H22N2O3S3 MW 482.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3S3/c1-13-20(23(28)29-2)22(21-16(25-13)7-5-8-17(21)27)19-10-14(11-30-19)12-31-24-26-15-6-3-4-9-18(15)32-24/h3-4,6,9-11,22,25H,5,7-8,12H2,1-2H3InChIKey
OZBZPQQODBHAOI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CS3)CSC4=NC5=CC=CC=C5S4)C(=O)OC
InChI=1SC24H22N2O3S3c11320(23(28)292)22(2116(2513)75817(21)27)191014(113019)1231242615634918(15)3224h3469112225H57812H212H3
methyl4(4((13benzothiazol2ylsulfanyl)methyl)thiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4(13benzothiazol2ylsulfanylmethyl)thiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06014162
ZINC000019874415
ZINC000019874417
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