Vitas-M small molecule compound
methyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-tert-butylphenyl)carbonyl]amino}prop-2-enoate
Catalog ID
STK381977
SMILES COC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-22(2,3)16-8-6-15(7-9-16)20(24)23-17(21(25)26-4)11-14-5-10-18-19(12-14)28-13-27-18/h5-12H,13H2,1-4H3,(H,23,24)/b17-11-InChIKey
JGQMRVQLHFXRLV-BOPFTXTBSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)OC
COC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC22H23NO5c122(23)168615(7916)20(24)2317(21(25)264)11145101819(1214)28132718h512H13H214H3(H2324)b1711
methyl(2Z)3(13benzodioxol5yl)2(((4tertbutylphenyl)carbonyl)amino)prop2enoate
METHYL(Z)3(13BENZODIOXOL5YL)2((4TERTBUTYLBENZOYL)AMINO)PROP2ENOATE
METHYL3(2HBENZO(34D)13DIOXOLEN5YL)(2Z)2((4(TERTBUTYL)PHENYL)CARBONYLAMINO)PROP2ENOATE
MFCD03037035
ZINC000004498748
ZINC04498748
ZINC4498748
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