Vitas-M small molecule compound
(2Z)-N-(4-methoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Catalog ID
STK581129
SMILES COc1ccc(cc1)NC(=O)/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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-25-16-5-3-15(4-6-16)23-21(24)13-18-17-12-20-19(26-9-2-10-27-20)11-14(17)7-8-22-18/h3-6,11-13,22H,2,7-10H2,1H3,(H,23,24)/b18-13-InChIKey
VANAKXSQUPGMEM-AQTBWJFISA-NSynonyms
898918-24-6(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)N(4methoxyphenyl)acetamide
(2Z)N(4methoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanamide
(Z)N(4methoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetamide
898918246
COC1=CC=C(C=C1)NC(=O)C=C2C3=CC4=C(C=C3CCN2)OCCCO4
COc1ccc(cc1)NC(=O)C=C1NCCc2c1cc1OCCCOc1c2
InChI=1SC21H22N2O4c125165315(4616)2321(24)131817122019(2692102720)1114(17)782218h36111322H2710H21H3(H2324)b1813
MFCD07641294
ZINC000005451904
ZINC05451904
ZINC5451904
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