Vitas-M small molecule compound
(2Z)-N-(3-methoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanethioamide
Catalog ID
STK597178
SMILES COc1cccc(c1)NC(=S)/C=C/1\NCCc2c1cc1OCCCOc1c2
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-24-16-5-2-4-15(11-16)23-21(27)13-18-17-12-20-19(25-8-3-9-26-20)10-14(17)6-7-22-18/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,23,27)/b18-13-InChIKey
OQOOSSCWBHERJP-AQTBWJFISA-NSynonyms
883951-40-4(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)N(3methoxyphenyl)ethanethioamide
(2Z)N(3methoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanethioamide
(Z)N(3methoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanethioamide
883951404
COC1=CC=CC(=C1)NC(=S)C=C2C3=CC4=C(C=C3CCN2)OCCCO4
COc1cccc(c1)NC(=S)C=C1NCCc2c1cc1OCCCOc1c2
InChI=1SC21H22N2O3Sc1241652415(1116)2321(27)131817122019(258392620)1014(17)672218h245101322H369H21H3(H2327)b1813
MFCD07639591
ZINC000101377005
ZINC101377005
Check stock
See real-time availability and sample size for STK597178 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.