Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Catalog ID
STK591560
SMILES S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)Nc1cccc(c1C)Cl
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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 C20H21ClN2O2S MW 388.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O2S/c1-13-16(21)4-2-5-17(13)22-20(26)23-7-6-14-10-18-19(11-15(14)12-23)25-9-3-8-24-18/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,22,26)InChIKey
ICUNHJSTGRJDGM-UHFFFAOYSA-NSynonyms
883960-49-4883960494
CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC4=C(C=C3C2)OCCCO4
InChI=1SC20H21ClN2O2Sc11316(21)42517(13)2220(26)237614101819(1115(14)1223)259382418h2451011H36912H21H3(H2226)
MFCD06785607
N(3chloro2methylphenyl)2347910hexahydro(14)dioxepino(23g)isoquinoline8carbothioamide
N(3chloro2methylphenyl)34910tetrahydro2H(14)dioxepino(23g)isoquinoline8(7H)carbothioamide
ZINC000005345691
ZINC05345691
ZINC5345691
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