Vitas-M small molecule compound
4-(3-methylthiophen-2-yl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
Catalog ID
STK784297
SMILES O=C1CC(c2sccc2C)c2c(O1)[nH]nc2c1cccc(c1)[N+](=O)[O-]
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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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c1-9-5-6-25-16(9)12-8-13(21)24-17-14(12)15(18-19-17)10-3-2-4-11(7-10)20(22)23/h2-7,12H,8H2,1H3,(H,18,19)InChIKey
FGVBFUKHXMIROS-UHFFFAOYSA-NSynonyms
4(3METHYLTHIOPHEN2YL)3(3NITROPHENYL)45DIHYDRO2HPYRANO(23C)PYRAZOL6ONE
4(3methylthiophen2yl)3(3nitrophenyl)45dihydropyrano(23c)pyrazol6(1H)one
CC1=C(SC=C1)C2CC(=O)OC3=NNC(=C23)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC17H13N3O4Sc19562516(9)12813(21)241714(12)15(181917)1032411(710)20(22)23h2712H8H21H3(H1819)
MFCD07021823
O=C1CC(c2sccc2C)c2c(O1)(nH)nc2c1cccc(c1)(N+)(=O)(O)
ZINC000004626314
ZINC000004626315
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