Vitas-M small molecule compound
(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-N-(thiophen-2-ylmethyl)ethanamide
Catalog ID
STK581769
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)NCc1cccs1
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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 C19H20N2O3S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O3S/c22-19(21-12-14-3-1-8-25-14)11-16-15-10-18-17(23-6-2-7-24-18)9-13(15)4-5-20-16/h1,3,8-11,20H,2,4-7,12H2,(H,21,22)/b16-11-InChIKey
FQTKLHKWIKYZRU-WJDWOHSUSA-NSynonyms
892635-42-6(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)N(thiophen2ylmethyl)acetamide
(2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)N(thiophen2ylmethyl)ethanamide
(Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)N(thiophen2ylmethyl)acetamide
892635426
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)NCC4=CC=CS4)OC1
InChI=1SC19H20N2O3Sc2219(2112143182514)111615101817(236272418)913(15)452016h1381120H24712H2(H2122)b1611
MFCD07641151
O=C(C=C1NCCc2c1cc1OCCCOc1c2)NCc1cccs1
ZINC000005451755
ZINC05451755
ZINC5451755
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