Vitas-M small molecule compound
N-(2-phenylethyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK599310
SMILES S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)NCCc1ccccc1
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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 C21H24N2O2S MW 368.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2S/c26-21(22-9-7-16-5-2-1-3-6-16)23-10-8-17-13-19-20(14-18(17)15-23)25-12-4-11-24-19/h1-3,5-6,13-14H,4,7-12,15H2,(H,22,26)InChIKey
IRCBIVQRENDWPH-UHFFFAOYSA-NSynonyms
883960-16-5883960165
C1COC2=C(C=C3CN(CCC3=C2)C(=S)NCCC4=CC=CC=C4)OC1
InChI=1SC21H24N2O2Sc2621(2297165213616)2310817131920(1418(17)1523)25124112419h13561314H471215H2(H2226)
MFCD06791164
N(2phenylethyl)2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
N(2phenylethyl)34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
Nphenethyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005348214
ZINC05348214
ZINC5348214
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