Vitas-M small molecule compound
16-(3,4-dimethoxyphenyl)-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
STK573738
SMILES COc1ccc(cc1OC)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)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 C30H33NO5 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO5/c1-30(2)16-23-29(24(32)17-30)21(18-6-7-25(33-3)26(12-18)34-4)14-22-20-15-28-27(35-10-5-11-36-28)13-19(20)8-9-31(22)23/h6-7,12-15,21H,5,8-11,16-17H2,1-4H3InChIKey
MUHJVLKEUVWDSX-UHFFFAOYSA-NSynonyms
16(34dimethoxyphenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(34dimethoxyphenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC(=C(C=C6)OC)OC)C(=O)C1)C
InChI=1SC30H33NO5c130(2)162329(24(32)1730)21(186725(333)26(1218)344)142220152827(35105113628)1319(20)8931(22)23h67121521H58111617H214H3
MFCD07638459
ZINC000013576740
ZINC000013576742
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