Vitas-M small molecule compound
4-[3-(1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK506931
SMILES OC(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)c1ccc2c(c1)OCO2
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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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c24-21(25)13-3-6-15(7-4-13)23-17(20-2-1-9-28-20)11-16(22-23)14-5-8-18-19(10-14)27-12-26-18/h1-10,17H,11-12H2,(H,24,25)InChIKey
RCBRPGIKFWEBCG-UHFFFAOYSA-NSynonyms
4(3(13benzodioxol5yl)5(thiophen2yl)45dihydro1Hpyrazol1yl)benzoicacid
4(3(2HBENZO(34D)13DIOXOLAN5YL)5(2THIENYL)2PYRAZOLINYL)BENZOICACID
4(5(13benzodioxol5yl)3thiophen2yl34dihydropyrazol2yl)benzoicacid
C1C(N(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)O)C5=CC=CS5
InChI=1SC21H16N2O4Sc2421(25)133615(7413)2317(202192820)1116(2223)14581819(1014)27122618h11017H1112H2(H2425)
MFCD13369041
ZINC000035655316
ZINC000035655317
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