Vitas-M small molecule compound
3-(5-{(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Catalog ID
STK172471
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccco1)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 C22H16N2O7 MW 420.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O7/c1-12-4-5-13(21(27)28)9-16(12)18-7-6-14(31-18)10-17-19(25)23-22(29)24(20(17)26)11-15-3-2-8-30-15/h2-10H,11H2,1H3,(H,27,28)(H,23,25,29)/b17-10+InChIKey
HVLMQQSNZPCMEK-LICLKQGHSA-NSynonyms
3(5((E)(1(FURAN2YLMETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
3(5((E)(1(FURAN2YLMETHYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4
InChI=1SC22H16N2O7c1124513(21(27)28)916(12)187614(3118)101719(25)2322(29)24(20(17)26)11153283015h210H11H21H3(H2728)(H232529)b1710+
MFCD08674120
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)Cc1ccco1)C
ZINC000014010866
ZINC14010866
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