Vitas-M small molecule compound
4-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2-(pyrrolidin-1-yl)benzoic acid
Catalog ID
STL384270
SMILES Cc1cc(n(n1)S(=O)(=O)c1cc(C(=O)O)c(cc1Cl)N1CCCC1)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 C16H18ClN3O4S MW 383.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3O4S/c1-10-7-11(2)20(18-10)25(23,24)15-8-12(16(21)22)14(9-13(15)17)19-5-3-4-6-19/h7-9H,3-6H2,1-2H3,(H,21,22)InChIKey
QQONDWBEXZDURE-UHFFFAOYSA-NSynonyms
957481-23-14chloro5((35dimethyl1Hpyrazol1yl)sulfonyl)2(pyrrolidin1yl)benzoicacid
4CHLORO5(35DIMETHYLPYRAZOL1YL)SULFONYL2PYRROLIDIN1YLBENZOICACID
5((35DIMETHYLPYRAZOLYL)SULFONYL)4CHLORO2PYRROLIDINYLBENZOICACID
957481231
CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)N3CCCC3)Cl)C
InChI=1SC16H18ClN3O4Sc110711(2)20(1810)25(2324)15812(16(21)22)14(913(15)17)19534619h79H36H212H3(H2122)
MFCD04050519
ZINC000004165543
ZINC4165543
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