Vitas-M small molecule compound
4-[(5E)-5-(1H-indol-3-ylmethylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK676848
SMILES OC(=O)c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2c[nH]c3c2cccc3)/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 C20H13N3O5 MW 375.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O5/c24-17-15(9-12-10-21-16-4-2-1-3-14(12)16)18(25)23(20(28)22-17)13-7-5-11(6-8-13)19(26)27/h1-10,21H,(H,26,27)(H,22,24,28)/b15-9+InChIKey
RROQLCSOQPNLTB-OQLLNIDSSA-NSynonyms
4((5E)5(1HINDOL3YLMETHYLENE)246TRIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
4((5E)5(1HINDOL3YLMETHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOICACID
4((5E)5(1HINDOL3YLMETHYLIDENE)246TRIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI=1SC20H13N3O5c241715(912102116421314(12)16)18(25)23(20(28)2217)137511(6813)19(26)27h11021H(H2627)(H222428)b159+
MFCD01831982
OC(=O)c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c(nH)c3c2cccc3)C1=O
ZINC000004553160
ZINC4553160
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