Vitas-M small molecule compound
{3-[(E)-(1-benzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}acetic acid
Catalog ID
STK140812
SMILES OC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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 C22H17N3O5 MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5/c26-19(27)13-24-12-15(16-8-4-5-9-18(16)24)10-17-20(28)23-22(30)25(21(17)29)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,26,27)(H,23,28,30)/b17-10+InChIKey
XXWDTLGVDLSIJD-LICLKQGHSA-NSynonyms
(3((E)(1BENZYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETICACID
2(3((E)(1BENZYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETICACID
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)NC2=O
InChI=1SC22H17N3O5c2619(27)13241215(16845918(16)24)101720(28)2322(30)25(21(17)29)11146213714h11012H1113H2(H2627)(H232830)b1710+
MFCD02909108
OC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1
ZINC000004682188
ZINC4682188
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