Vitas-M small molecule compound
methyl 4-[9-chloro-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Catalog ID
STL021274
SMILES COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)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 C22H17ClN2O3S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O3S/c1-27-22(26)14-6-4-13(5-7-14)21-25-18(12-17(24-25)20-3-2-10-29-20)16-11-15(23)8-9-19(16)28-21/h2-11,18,21H,12H2,1H3InChIKey
CAIUBUCRIYIULJ-UHFFFAOYSA-NSynonyms
450386-83-1450386831
COC(=O)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Cl
InChI=1SC22H17ClN2O3Sc12722(26)146413(5714)212518(1217(2425)2032102920)161115(23)8919(16)2821h2111821H12H21H3
methyl4(9chloro2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)benzoate
METHYL4(9CHLORO2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)BENZOATE
MFCD02609512
ZINC000012196399
ZINC000012196414
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