Vitas-M small molecule compound
(1Z)-3-(4-tert-butylphenoxy)-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butan-2-one
Catalog ID
STK592785
SMILES O=C(C(Oc1ccc(cc1)C(C)(C)C)C)/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 C26H31NO4 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4/c1-17(31-20-8-6-19(7-9-20)26(2,3)4)23(28)16-22-21-15-25-24(29-12-5-13-30-25)14-18(21)10-11-27-22/h6-9,14-17,27H,5,10-13H2,1-4H3/b22-16-InChIKey
RSPCGHCVRKADGB-JWGURIENSA-NSynonyms
883952-32-7(1Z)3(4tertbutylphenoxy)1(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)butan2one
(1Z)3(4tertbutylphenoxy)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butan2one
(Z)3(4(tertbutyl)phenoxy)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butan2one
883952327
CC(C(=O)C=C1C2=CC3=C(C=C2CCN1)OCCCO3)OC4=CC=C(C=C4)C(C)(C)C
InChI=1SC26H31NO4c117(31208619(7920)26(23)4)23(28)162221152524(29125133025)1418(21)10112722h69141727H51013H214H3b2216
MFCD07639711
O=C(C(Oc1ccc(cc1)C(C)(C)C)C)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000005428315
ZINC000005428321
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