Vitas-M small molecule compound

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3,4-dihydroquinoline-1(2H)-carbothioamide

Catalog ID
STK493755
SMILES COc1cc(CCNC(=S)N2CCCc3c2ccc(c3)C)ccc1OC

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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 C21H26N2O2S MW 370.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2S/c1-15-6-8-18-17(13-15)5-4-12-23(18)21(26)22-11-10-16-7-9-19(24-2)20(14-16)25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,26)
InChIKey
CTAVGRCWWQZFSZ-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N(CCC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC
InChI=1SC21H26N2O2Sc115681817(1315)541223(18)21(26)221110167919(242)20(1416)253h691314H451012H213H3(H2226)
MFCD04281986
N(2(34dimethoxyphenyl)ethyl)6methyl34dihydro2Hquinoline1carbothioamide
N(2(34dimethoxyphenyl)ethyl)6methyl34dihydroquinoline1(2H)carbothioamide
ZINC000006967013
ZINC06967013
ZINC6967013

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.