Vitas-M small molecule compound
13-(3,4-diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STK579943
SMILES CCOc1cc(ccc1OCC)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc(OC)c(c1)OC
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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 C31H37NO5 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO5/c1-7-36-26-10-9-19(14-29(26)37-8-2)22-15-23-21-16-28(35-6)27(34-5)13-20(21)11-12-32(23)24-17-31(3,4)18-25(33)30(22)24/h9-10,13-16,22H,7-8,11-12,17-18H2,1-6H3InChIKey
DAUXJMOKLQBHNS-UHFFFAOYSA-NSynonyms
13(34diethoxyphenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(34diethoxyphenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
13(34diethoxyphenyl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
CCOC1=C(C=C(C=C1)C2C=C3C4=CC(=C(C=C4CCN3C5=C2C(=O)CC(C5)(C)C)OC)OC)OCC
InChI=1SC31H37NO5c17362610919(1429(26)3782)221523211628(356)27(345)1320(21)111232(23)241731(34)1825(33)30(22)24h910131622H7811121718H216H3
MFCD07638920
ZINC000009128591
ZINC000009128592
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