Vitas-M small molecule compound

4-(2-{(E)-[2,4,6-trioxo-1-(pyridin-3-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK172322
SMILES OC(=O)c1ccc(cc1)n1cccc1/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 C21H14N4O5 MW 402.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O5/c26-18-17(19(27)25(21(30)23-18)16-3-1-9-22-12-16)11-15-4-2-10-24(15)14-7-5-13(6-8-14)20(28)29/h1-12H,(H,28,29)(H,23,26,30)/b17-11+
InChIKey
RMXISXSTTUANOJ-GZTJUZNOSA-N
Synonyms

4(2((E)(246TRIOXO1(PYRIDIN3YL)TETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
4(2((E)(246TRIOXO1PYRIDIN3YL13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
C1=CC(=CN=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
InChI=1SC21H14N4O5c261817(19(27)25(21(30)2318)16319221216)1115421024(15)147513(6814)20(28)29h112H(H2829)(H232630)b1711+
MFCD04354861
OC(=O)c1ccc(cc1)n1cccc1C=C1C(=O)NC(=O)N(C1=O)c1cccnc1
ZINC000004703722
ZINC4703722

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Available files

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