Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl]-N-methylprop-2-enamide
Catalog ID
STK149237
SMILES COc1ccc(cc1)C(N(C(=O)/C=C/c1ccc2c(c1)OCO2)C)C(=O)Nc1ccc(cc1)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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-19(2)21-7-11-23(12-8-21)30-29(33)28(22-9-13-24(34-4)14-10-22)31(3)27(32)16-6-20-5-15-25-26(17-20)36-18-35-25/h5-17,19,28H,18H2,1-4H3,(H,30,33)/b16-6+InChIKey
FLFMOSHOPSIWOT-OMCISZLKSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)N(1(4METHOXYPHENYL)2OXO2((4(PROPAN2YL)PHENYL)AMINO)ETHYL)NMETHYLPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(1(4METHOXYPHENYL)2OXO2(4PROPAN2YLANILINO)ETHYL)NMETHYLPROP2ENAMIDE
CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)OC)N(C)C(=O)C=CC3=CC4=C(C=C3)OCO4
COc1ccc(cc1)C(N(C(=O)C=Cc1ccc2c(c1)OCO2)C)C(=O)Nc1ccc(cc1)C(C)C
InChI=1SC29H30N2O5c119(2)2171123(12821)3029(33)28(2291324(344)141022)31(3)27(32)166205152526(1720)36183525h5171928H18H214H3(H3033)b166+
MFCD03449836
ZINC000003615596
ZINC000003615600
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