Vitas-M small molecule compound
16-(3-chloro-5-methoxy-4-propoxyphenyl)-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK583609
SMILES CCCOc1c(Cl)cc(cc1OC)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCCCOc2c1
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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 C30H32ClNO5 MW 522.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO5/c1-3-10-37-30-22(31)13-19(15-28(30)34-2)21-16-24-20-17-27-26(35-11-5-12-36-27)14-18(20)8-9-32(24)23-6-4-7-25(33)29(21)23/h13-17,21H,3-12H2,1-2H3InChIKey
JKBKQIQCXFWTDJ-UHFFFAOYSA-NSynonyms
879757-44-516(3chloro5methoxy4propoxyphenyl)23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(3chloro5methoxy4propoxyphenyl)346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
879757445
CCCOC1=C(C=C(C=C1Cl)C2C=C3C4=CC5=C(C=C4CCN3C6=C2C(=O)CCC6)OCCCO5)OC
InChI=1SC30H32ClNO5c1310373022(31)1319(1528(30)342)21162420172726(35115123627)1418(20)8932(24)2364725(33)29(21)23h131721H312H212H3
MFCD07642401
ZINC000009130311
ZINC000009130312
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