Vitas-M small molecule compound
2-methyl-3-(5-{(E)-[2,4,6-trioxo-1-(prop-2-en-1-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK115359
SMILES C=CCN1C(=O)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2C)C(=O)O)/C1=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 C20H16N2O6 MW 380.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O6/c1-3-9-22-18(24)15(17(23)21-20(22)27)10-12-7-8-16(28-12)13-5-4-6-14(11(13)2)19(25)26/h3-8,10H,1,9H2,2H3,(H,25,26)(H,21,23,27)/b15-10+InChIKey
GEZMHRFAVFIWAL-XNTDXEJSSA-NSynonyms
2METHYL3(5((E)(246TRIOXO1(PROP2EN1YL)TETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
2METHYL3(5((E)(246TRIOXO1PROP2ENYL13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C=CCN1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2C)C(=O)O)C1=O
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)CC=C
InChI=1SC20H16N2O6c1392218(24)15(17(23)2120(22)27)10127816(2812)1354614(11(13)2)19(25)26h3810H19H22H3(H2526)(H212327)b1510+
MFCD04277806
ZINC000004690556
ZINC4690556
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