Vitas-M small molecule compound
5-[(4-tert-butylphenyl)carbonyl]-3-(3-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL141964
SMILES CCc1cccc(c1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccc(cc1)C(C)(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 C30H32N2O3 MW 468.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O3/c1-6-20-10-9-11-23(18-20)32-28(34)31(27(33)21-14-16-22(17-15-21)29(2,3)4)25-19-30(32,5)35-26-13-8-7-12-24(25)26/h7-18,25H,6,19H2,1-5H3InChIKey
SSSLHBDZJNHDSK-UHFFFAOYSA-NSynonyms
5((4tertbutylphenyl)carbonyl)3(3ethylphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CCC1=CC(=CC=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC30H32N2O3c16201091123(1820)3228(34)31(27(33)21141622(171521)29(23)4)251930(325)352613871224(25)26h71825H619H215H3
MFCD14725970
ZINC000100034103
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