Vitas-M small molecule compound
2-{[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}-6-nitrobenzoic acid
Catalog ID
STK889232
SMILES O=C(c1cccc(c1C(=O)O)[N+](=O)[O-])N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1
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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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c32-27(21-14-8-16-23(31(35)36)24(21)28(33)34)30-26(19-11-5-2-6-12-19)22-15-7-13-20(25(22)29-30)17-18-9-3-1-4-10-18/h1-6,8-12,14,16-17,22,26H,7,13,15H2,(H,33,34)/b20-17+InChIKey
SLQDOJHPBKTUGO-LVZFUZTISA-NSynonyms
2(((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)carbonyl)6nitrobenzoicacid
2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOLE2CARBONYL)6NITROBENZOICACID
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C(=O)O)C5=CC=CC=C5
InChI=1SC28H23N3O5c3227(211481623(31(35)36)24(21)28(33)34)3026(19115261219)221571320(25(22)2930)171893141018h168121416172226H71315H2(H3334)b2017+
MFCD02709491
O=C(c1cccc(c1C(=O)O)(N+)(=O)(O))N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
ZINC000012560331
ZINC000012560336
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