Vitas-M small molecule compound
2-ethoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Catalog ID
STK521326
SMILES CCOc1c(O)ccc(c1[N+](=O)[O-])C1Oc2ccccc2C2N1N=C(C2)c1cccs1
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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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-2-29-21-17(26)10-9-14(20(21)25(27)28)22-24-16(13-6-3-4-7-18(13)30-22)12-15(23-24)19-8-5-11-31-19/h3-11,16,22,26H,2,12H2,1H3InChIKey
CGFSLPRBQLGRQB-UHFFFAOYSA-NSynonyms
2ETHOXY3NITRO4(2(2THIENYL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
2ethoxy3nitro4(2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)phenol
2ETHOXY3NITRO4(2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
CCOC1=C(C=CC(=C1(N+)(=O)(O))C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)O
CCOc1c(O)ccc(c1(N+)(=O)(O))C1Oc2ccccc2C2N1N=C(C2)c1cccs1
InChI=1SC22H19N3O5Sc12292117(26)10914(20(21)25(27)28)222416(13634718(13)3022)1215(2324)1985113119h311162226H212H21H3
MFCD03271289
ZINC000000684616
ZINC000015016224
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