Vitas-M small molecule compound
2-chloro-5-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK675325
SMILES CC1=NN(C(=O)/C/1=C/c1cccs1)c1ccc(c(c1)C(=O)O)Cl
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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 C16H11ClN2O3S MW 346.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O3S/c1-9-12(8-11-3-2-6-23-11)15(20)19(18-9)10-4-5-14(17)13(7-10)16(21)22/h2-8H,1H3,(H,21,22)/b12-8+InChIKey
IPGORUFBIQIASW-XYOKQWHBSA-NSynonyms
2chloro5((4E)3methyl5oxo4(thiophen2ylmethylidene)45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5((4E)3METHYL5OXO4(THIOPHEN2YLMETHYLIDENE)PYRAZOL1YL)BENZOICACID
2CHLORO5(3METHYL5OXO4(2THIENYLMETHYLENE)(12DIAZOLINYL))BENZOICACID
CC1=NN(C(=O)C1=Cc1cccs1)c1ccc(c(c1)C(=O)O)Cl
CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC16H11ClN2O3Sc1912(8113262311)15(20)19(189)104514(17)13(710)16(21)22h28H1H3(H2122)b128+
MFCD01359830
ZINC000100077633
ZINC100077633
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