Vitas-M small molecule compound
2-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}propanoic acid
Catalog ID
STK172283
SMILES O=C1NC(=O)C(=Cc2ccc3c(c2)ccn3C(C(=O)O)C)C(=O)N1
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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 C16H13N3O5 MW 327.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O5/c1-8(15(22)23)19-5-4-10-6-9(2-3-12(10)19)7-11-13(20)17-16(24)18-14(11)21/h2-8H,1H3,(H,22,23)(H2,17,18,20,21,24)InChIKey
PVAGDPLBCSFOTA-UHFFFAOYSA-NSynonyms
2(5((246trioxo13diazinan5ylidene)methyl)indol1yl)propanoicacid
2(5((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)PROPANOICACID
CC(C(=O)O)N1C=CC2=C1C=CC(=C2)C=C3C(=O)NC(=O)NC3=O
InChI=1SC16H13N3O5c18(15(22)23)19541069(2312(10)19)71113(20)1716(24)1814(11)21h28H1H3(H2223)(H21718202124)
MFCD04326251
ZINC000004703701
ZINC000004703702
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