Vitas-M small molecule compound
4-(5-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK170846
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1
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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 C21H14N2O7 MW 406.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O7/c24-18-16(19(25)23(21(28)22-18)11-15-2-1-9-29-15)10-14-7-8-17(30-14)12-3-5-13(6-4-12)20(26)27/h1-10H,11H2,(H,26,27)(H,22,24,28)/b16-10-InChIKey
ZKFQMGOPDBURNC-YBEGLDIGSA-NSynonyms
345336-27-8(Z)4(5((1(furan2ylmethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
345336278
4(5((Z)(1(FURAN2YLMETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(1(FURAN2YLMETHYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=COC(=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
InChI=1SC21H14N2O7c241816(19(25)23(21(28)2218)11152192915)10147817(3014)123513(6412)20(26)27h110H11H2(H2627)(H222428)b1610
MFCD02196019
OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)Cc1ccco1
ZINC000013689237
ZINC13689237
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