Vitas-M small molecule compound

3-methylbutyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-methoxyphenyl)carbonyl]amino}prop-2-enoate

Catalog ID
STL000719
SMILES COc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)OCCC(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 C23H25NO6 MW 411.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO6/c1-15(2)10-11-28-23(26)19(12-16-4-9-20-21(13-16)30-14-29-20)24-22(25)17-5-7-18(27-3)8-6-17/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,24,25)/b19-12-
InChIKey
CCDRXWYZESYCKZ-UNOMPAQXSA-N
Synonyms
839704-74-4
(Z)isopentyl3(benzo(d)(13)dioxol5yl)2(4methoxybenzamido)acrylate
3methylbutyl(2Z)3(13benzodioxol5yl)2(((4methoxyphenyl)carbonyl)amino)prop2enoate
3METHYLBUTYL(Z)3(13BENZODIOXOL5YL)2((4METHOXYBENZOYL)AMINO)PROP2ENOATE
839704744
CC(C)CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)OCCC(C)C
InChI=1SC23H25NO6c115(2)10112823(26)19(1216492021(1316)30142920)2422(25)175718(273)8617h49121315H101114H213H3(H2425)b1912
MFCD03693752
ZINC000002256090
ZINC02256090
ZINC2256090

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Available files

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