Vitas-M small molecule compound
(2Z)-N-(3-chloro-2-methylphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanethioamide
Catalog ID
STK583313
SMILES S=C(Nc1cccc(c1C)Cl)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C21H21ClN2O2S MW 400.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2S/c1-13-16(22)4-2-5-17(13)24-21(27)12-18-15-11-20-19(25-8-3-9-26-20)10-14(15)6-7-23-18/h2,4-5,10-12,23H,3,6-9H2,1H3,(H,24,27)/b18-12-InChIKey
LVZJVMQCKLGNKX-PDGQHHTCSA-NSynonyms
883951-43-7(2Z)N(3chloro2methylphenyl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)ethanethioamide
(2Z)N(3chloro2methylphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanethioamide
(Z)N(3chloro2methylphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanethioamide
883951437
CC1=C(C=CC=C1Cl)NC(=S)C=C2C3=CC4=C(C=C3CCN2)OCCCO4
InChI=1SC21H21ClN2O2Sc11316(22)42517(13)2421(27)121815112019(258392620)1014(15)672318h245101223H369H21H3(H2427)b1812
MFCD07639214
S=C(Nc1cccc(c1C)Cl)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000101374864
ZINC101374864
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