Vitas-M small molecule compound
2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-N-[2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
Catalog ID
STK598500
SMILES O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)NCCN1C(=S)SCC1=O
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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 C20H25N3O4S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4S2/c1-13-15-10-17-16(26-7-2-8-27-17)9-14(15)3-5-22(13)11-18(24)21-4-6-23-19(25)12-29-20(23)28/h9-10,13H,2-8,11-12H2,1H3,(H,21,24)InChIKey
QHNPCKSEDBWUJI-UHFFFAOYSA-NSynonyms
898916-93-32(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)N(2(4oxo2sulfanylidene13thiazolidin3yl)ethyl)acetamide
2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)N(2(4oxo2thioxo13thiazolidin3yl)ethyl)acetamide
2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)N(2(4oxo2thioxothiazolidin3yl)ethyl)acetamide
898916933
CC1C2=CC3=C(C=C2CCN1CC(=O)NCCN4C(=O)CSC4=S)OCCCO3
InChI=1SC20H25N3O4S2c11315101716(267282717)914(15)3522(13)1118(24)21462319(25)122920(23)28h91013H281112H21H3(H2124)
MFCD07639961
ZINC000009129285
ZINC000009129286
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