Vitas-M small molecule compound
N-(3-methoxyphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK591082
SMILES COc1cccc(c1)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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-23-17-5-2-4-16(12-17)21-20(26)22-7-6-14-10-18-19(11-15(14)13-22)25-9-3-8-24-18/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,21,26)InChIKey
DXTYDODSLUICJO-UHFFFAOYSA-NSynonyms
883960-88-1883960881
COC1=CC=CC(=C1)NC(=S)N2CCC3=CC4=C(C=C3C2)OCCCO4
InChI=1SC20H22N2O3Sc1231752416(1217)2120(26)227614101819(1115(14)1322)259382418h2451012H36913H21H3(H2126)
MFCD06792610
N(3methoxyphenyl)2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
N(3methoxyphenyl)34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005349000
ZINC05349000
ZINC5349000
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