Vitas-M small molecule compound
5-[(3,4-diethoxyphenyl)carbonyl]-3-(3-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL192585
SMILES CCOc1cc(ccc1OCC)C(=O)N1C2CC(N(C1=O)c1cccc(c1)CC)(C)Oc1c2cccc1
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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 C30H32N2O5 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5/c1-5-20-11-10-12-22(17-20)32-29(34)31(24-19-30(32,4)37-25-14-9-8-13-23(24)25)28(33)21-15-16-26(35-6-2)27(18-21)36-7-3/h8-18,24H,5-7,19H2,1-4H3InChIKey
ZHYRSPHZEXAMGY-UHFFFAOYSA-NSynonyms
5((34diethoxyphenyl)carbonyl)3(3ethylphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CCC1=CC(=CC=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC(=C(C=C5)OCC)OCC
InChI=1SC30H32N2O5c152011101222(1720)3229(34)31(241930(324)372514981323(24)25)28(33)21151626(3562)27(1821)3673h81824H5719H214H3
MFCD22390755
ZINC000100033854
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