Vitas-M small molecule compound

(3Z)-4-(1,3-benzodioxol-5-yl)-3-(methoxycarbonyl)but-3-enoic acid

Catalog ID
STL433112
SMILES COC(=O)/C(=C\c1ccc2c(c1)OCO2)/CC(=O)O

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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 C13H12O6 MW 264.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-5H,6-7H2,1H3,(H,14,15)/b9-4-
InChIKey
KIBLCRDWYKUFIB-WTKPLQERSA-N
Synonyms
84736-28-7
(3Z)4(13benzodioxol5yl)3(methoxycarbonyl)but3enoicacid
(Z)4(13BENZODIOXOL5YL)3METHOXYCARBONYLBUT3ENOICACID
4(2HBENZO(D)13DIOXOLAN5YL)(3Z)3(METHOXYCARBONYL)BUT3ENOICACID
84736287
BUTANEDIOICACID2(13BENZODIOXOL5YLMETHYLENE)1METHYLESTER
COC(=O)C(=CC1=CC2=C(C=C1)OCO2)CC(=O)O
COC(=O)C(=Cc1ccc2c(c1)OCO2)CC(=O)O
InChI=1SC13H12O6c11713(16)9(612(14)15)48231011(58)1971810h25H67H21H3(H1415)b94
MFCD11983458
ZINC000005218035
ZINC5218035

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Available files

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