Vitas-M small molecule compound
(3-{(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-indol-1-yl)acetic acid
Catalog ID
STK868943
SMILES OC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)C
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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 C21H16ClN3O3 MW 393.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O3/c1-13-18(21(28)25(23-13)16-6-4-5-15(22)10-16)9-14-11-24(12-20(26)27)19-8-3-2-7-17(14)19/h2-11H,12H2,1H3,(H,26,27)/b18-9-InChIKey
FBCUKHDTFTZORK-NVMNQCDNSA-NSynonyms
(3((Z)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)1Hindol1yl)aceticacid
2(3((Z)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)indol1yl)aceticacid
CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(=O)O)C4=CC(=CC=C4)Cl
InChI=1SC21H16ClN3O3c11318(21(28)25(2313)1664515(22)1016)9141124(1220(26)27)19832717(14)19h211H12H21H3(H2627)b189
MFCD02632486
OC(=O)Cn1cc(c2c1cccc2)C=C1C(=NN(C1=O)c1cccc(c1)Cl)C
ZINC000016161009
ZINC16161009
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