Vitas-M small molecule compound
N-benzyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK587349
SMILES S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)NCc1ccccc1
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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 C20H22N2O2S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S/c25-20(21-13-15-5-2-1-3-6-15)22-8-7-16-11-18-19(12-17(16)14-22)24-10-4-9-23-18/h1-3,5-6,11-12H,4,7-10,13-14H2,(H,21,25)InChIKey
FBHCZHXQCPXEIN-UHFFFAOYSA-NSynonyms
883958-46-1883958461
C1COC2=C(C=C3CN(CCC3=C2)C(=S)NCC4=CC=CC=C4)OC1
InChI=1SC20H22N2O2Sc2520(2113155213615)228716111819(1217(16)1422)2410492318h13561112H47101314H2(H2125)
MFCD06786144
Nbenzyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
Nbenzyl34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005345874
ZINC05345874
ZINC5345874
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