Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK588929
SMILES Cc1ccc(c(c1)C)NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1
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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/c1-14-4-5-18(15(2)10-14)22-21(26)23-7-6-16-11-19-20(12-17(16)13-23)25-9-3-8-24-19/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,22,26)InChIKey
QGEXFXARNIQXIL-UHFFFAOYSA-NSynonyms
883961-33-9883961339
CC1=CC(=C(C=C1)NC(=S)N2CCC3=CC4=C(C=C3C2)OCCCO4)C
InChI=1SC21H24N2O2Sc1144518(15(2)1014)2221(26)237616111920(1217(16)1323)259382419h451012H36913H212H3(H2226)
MFCD06793504
N(24dimethylphenyl)2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
N(24dimethylphenyl)34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005350453
ZINC05350453
ZINC5350453
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