Vitas-M small molecule compound

2-(5-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK176713
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(o1)c1ccccc1C(=O)O)c1ccc2c(c1)OCO2

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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 C23H14N2O8 MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O8/c26-20-16(10-13-6-8-17(33-13)14-3-1-2-4-15(14)22(28)29)21(27)25(23(30)24-20)12-5-7-18-19(9-12)32-11-31-18/h1-10H,11H2,(H,28,29)(H,24,26,30)/b16-10-
InChIKey
XUXXLGUXTCGTMM-YBEGLDIGSA-N
Synonyms
347386-28-1
(Z)2(5((1(benzo(d)(13)dioxol5yl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
2(5((Z)(1(13BENZODIOXOL5YL)246TRIKETOHEXAHYDROPYRIMIDIN5YLIDENE)METHYL)2FURYL)BENZOICACID
2(5((Z)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2FURANYL)BENZOICACID
2(5((Z)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2(5((Z)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
2(5((Z)(1(13BENZODIOXOL5YL)246TRIS(OXIDANYLIDENE)13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2(5((Z)(1(13BENZODIOXOL5YL)2HYDROXY46DIOXO16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
2(5(1BENZO(13)DIOXOL5YL246TRIOXOTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)FURAN2YL)BENZOICACID
347386281
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5C(=O)O)C(=O)NC3=O
InChI=1SC23H14N2O8c262016(10136817(3313)14312415(14)22(28)29)21(27)25(23(30)2420)12571819(912)32113118h110H11H2(H2829)(H242630)b1610
MFCD02624010
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1ccccc1C(=O)O)c1ccc2c(c1)OCO2
ZINC13638430

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Available files

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