Vitas-M small molecule compound
16-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-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
STK576071
SMILES COc1cc(cc2c1OCCO2)C1C=C2c3cc4OCCCOc4cc3CCN2C2=C1C(=O)CC(C2)(C)C
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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 C31H33NO6 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO6/c1-31(2)16-23-29(24(33)17-31)21(19-12-27(34-3)30-28(13-19)37-9-10-38-30)14-22-20-15-26-25(35-7-4-8-36-26)11-18(20)5-6-32(22)23/h11-15,21H,4-10,16-17H2,1-3H3InChIKey
PDITTYJHJOVSKB-UHFFFAOYSA-NSynonyms
16(8methoxy23dihydro14benzodioxin6yl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(8methoxy23dihydrobenzo(b)(14)dioxin6yl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC7=C(C(=C6)OC)OCCO7)C(=O)C1)C
InChI=1SC31H33NO6c131(2)162329(24(33)1731)21(191227(343)3028(1319)379103830)142220152625(357483626)1118(20)5632(22)23h111521H4101617H213H3
MFCD07640133
ZINC000009129389
ZINC000009129391
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