Vitas-M small molecule compound

3-(3-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK170847
SMILES OC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

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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 C23H19N3O6 MW 433.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O6/c1-13-9-16(14(2)26(13)17-6-3-5-15(10-17)22(29)30)11-19-20(27)24-23(31)25(21(19)28)12-18-7-4-8-32-18/h3-11H,12H2,1-2H3,(H,29,30)(H,24,27,31)/b19-11-
InChIKey
HCWPJFWOJXXEJQ-ODLFYWEKSA-N
Synonyms

3(3((Z)(1(furan2ylmethyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
3(3((Z)(1(FURAN2YLMETHYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4
InChI=1SC23H19N3O6c113916(14(2)26(13)1763515(1017)22(29)30)111920(27)2423(31)25(21(19)28)12187483218h311H12H212H3(H2930)(H242731)b1911
MFCD02196078
OC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)Cc1ccco1
ZINC000009265164
ZINC9265164

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Available files

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