Vitas-M small molecule compound
3-(5-{(Z)-[2,4,6-trioxo-1-(pyridin-3-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK135539
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccnc1
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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 C21H13N3O6 MW 403.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O6/c25-18-16(19(26)24(21(29)23-18)14-5-2-8-22-11-14)10-15-6-7-17(30-15)12-3-1-4-13(9-12)20(27)28/h1-11H,(H,27,28)(H,23,25,29)/b16-10-InChIKey
DZQMAKATZBSZII-YBEGLDIGSA-NSynonyms
3(5((Z)(246TRIOXO1(PYRIDIN3YL)TETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(246TRIOXO1PYRIDIN3YL13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CN=CC=C4
InChI=1SC21H13N3O6c251816(19(26)24(21(29)2318)14528221114)10156717(3015)1231413(912)20(27)28h111H(H2728)(H232529)b1610
MFCD04358292
OC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1cccnc1
ZINC000004677909
ZINC4677909
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