Vitas-M small molecule compound
4-(5-{(2Z)-2-[4-(methoxycarbonyl)benzylidene]-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl}furan-2-yl)benzoic acid
Catalog ID
STL546219
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1ccc(cc1)C(=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 C31H20O9 MW 536.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20O9/c1-37-31(36)19-4-2-16(3-5-19)14-25-28(33)20-10-11-24-27(29(20)40-25)21(15-26(32)39-24)23-13-12-22(38-23)17-6-8-18(9-7-17)30(34)35/h2-14,21H,15H2,1H3,(H,34,35)/b25-14-InChIKey
XOKKDHGZTNUGBP-QFEZKATASA-NSynonyms
(Z)4(5(2(4(methoxycarbonyl)benzylidene)37dioxo3789tetrahydro2Hfuro(23f)chromen9yl)furan2yl)benzoicacid
121542033
4(5((2~(Z))2((4methoxycarbonylphenyl)methylidene)37dioxo89dihydrofuro(23f)chromen9yl)furan2yl)benzoicacid
4(5((2Z)2(4(methoxycarbonyl)benzylidene)37dioxo2389tetrahydro7Hfuro(23f)chromen9yl)furan2yl)benzoicacid
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1ccc(cc1)C(=O)O
InChI=1SC31H20O9c13731(36)194216(3519)142528(33)2010112427(29(20)4025)21(1526(32)3924)23131222(3823)176818(9717)30(34)35h21421H15H21H3(H3435)b2514
MFCD30344515
ZINC000263586749
ZINC001081801599
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