Vitas-M small molecule compound
(1-{4-[(1-acetyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl)amino]benzyl}-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
Catalog ID
STL422750
SMILES OC(=O)Cc1c(C)nn(c1C)Cc1ccc(cc1)NC1=CC(=O)N(C1)C(=O)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 C20H22N4O4 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4/c1-12-18(9-20(27)28)13(2)24(22-12)10-15-4-6-16(7-5-15)21-17-8-19(26)23(11-17)14(3)25/h4-8,21H,9-11H2,1-3H3,(H,27,28)InChIKey
BXOMVQIAGQOWAN-UHFFFAOYSA-NSynonyms
1676069-90-1(1(4((1acetyl5oxo25dihydro1Hpyrrol3yl)amino)benzyl)35dimethyl1Hpyrazol4yl)aceticacid
1676069901
2(1((4((1acetyl5oxo2Hpyrrol3yl)amino)phenyl)methyl)35dimethylpyrazol4yl)aceticacid
2(1(4((1acetyl5oxo25dihydro1Hpyrrol3yl)amino)benzyl)35dimethyl1Hpyrazol4yl)aceticacid
CC1=C(C(=NN1CC2=CC=C(C=C2)NC3=CC(=O)N(C3)C(=O)C)C)CC(=O)O
InChI=1SC20H22N4O4c11218(920(27)28)13(2)24(2212)10154616(7515)2117819(26)23(1117)14(3)25h4821H911H213H3(H2728)
MFCD28986906
ZINC000218533759
ZINC218533759
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