Vitas-M small molecule compound
(1Z)-5-(4-chloro-3-methylphenoxy)-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)pentan-2-one
Catalog ID
STK596255
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCCOc1ccc(c(c1)C)Cl
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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 C24H26ClNO4 MW 427.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClNO4/c1-16-12-19(5-6-21(16)25)28-9-2-4-18(27)14-22-20-15-24-23(29-10-3-11-30-24)13-17(20)7-8-26-22/h5-6,12-15,26H,2-4,7-11H2,1H3/b22-14-InChIKey
DJOZPAPBKOGIOG-HMAPJEAMSA-NSynonyms
904209-35-4(1Z)5(4chloro3methylphenoxy)1(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)pentan2one
(1Z)5(4chloro3methylphenoxy)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)pentan2one
(Z)5(4chloro3methylphenoxy)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)pentan2one
904209354
CC1=C(C=CC(=C1)OCCCC(=O)C=C2C3=CC4=C(C=C3CCN2)OCCCO4)Cl
InChI=1SC24H26ClNO4c1161219(5621(16)25)2892418(27)142220152423(29103113024)1317(20)782622h56121526H24711H21H3b2214
MFCD07638265
O=C(C=C1NCCc2c1cc1OCCCOc1c2)CCCOc1ccc(c(c1)C)Cl
ZINC000013576567
ZINC13576567
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