Vitas-M small molecule compound
3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoyl-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK681258
SMILES CCCC(=O)C1=C(NCCc2c(C)[nH]c3c2cc(OCc2ccccc2)cc3)CC(CC1=O)(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 C30H36N2O3 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O3/c1-5-9-27(33)29-26(17-30(3,4)18-28(29)34)31-15-14-23-20(2)32-25-13-12-22(16-24(23)25)35-19-21-10-7-6-8-11-21/h6-8,10-13,16,31-32H,5,9,14-15,17-19H2,1-4H3InChIKey
YAJNUCWGYKNMLG-UHFFFAOYSA-NSynonyms
2BUTANOYL55DIMETHYL3(2(2METHYL5PHENYLMETHOXY1HINDOL3YL)ETHYLAMINO)CYCLOHEX2EN1ONE
3((2(5(benzyloxy)2methyl1Hindol3yl)ethyl)amino)2butanoyl55dimethylcyclohex2en1one
CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C
CCCC(=O)C1=C(NCCc2c(C)(nH)c3c2cc(OCc2ccccc2)cc3)CC(CC1=O)(C)C
InChI=1SC30H36N2O3c15927(33)2926(1730(34)1828(29)34)3115142320(2)3225131222(1624(23)25)351921107681121h681013163132H5914151719H214H3
MFCD03768768
ZINC000100140321
ZINC100140321
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