Vitas-M small molecule compound
(2Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Catalog ID
STK588341
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)NCc1ccc2c(c1)OCO2
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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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c25-22(24-12-14-2-3-18-19(8-14)29-13-28-18)11-17-16-10-21-20(26-6-1-7-27-21)9-15(16)4-5-23-17/h2-3,8-11,23H,1,4-7,12-13H2,(H,24,25)/b17-11-InChIKey
UMYHZCNOXIBJGF-BOPFTXTBSA-NSynonyms
(2Z)N(13benzodioxol5ylmethyl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)acetamide
(2Z)N(13benzodioxol5ylmethyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanamide
(Z)N(benzo(d)(13)dioxol5ylmethyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetamide
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)NCC4=CC5=C(C=C4)OCO5)OC1
InChI=1SC22H22N2O5c2522(241214231819(814)29132818)111716102120(266172721)915(16)452317h2381123H1471213H2(H2425)b1711
MFCD07638725
O=C(C=C1NCCc2c1cc1OCCCOc1c2)NCc1ccc2c(c1)OCO2
ZINC000005421784
ZINC05421784
ZINC5421784
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