Vitas-M small molecule compound
2-{[(E)-(4-methyl-3-nitrophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL387672
SMILES O=C1N(/N=C/c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1C=CC2C1
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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 C17H15N3O4 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4/c1-9-2-3-10(6-13(9)20(23)24)8-18-19-16(21)14-11-4-5-12(7-11)15(14)17(19)22/h2-6,8,11-12,14-15H,7H2,1H3/b18-8+InChIKey
XKBCFGZEXNSYOH-QGMBQPNBSA-NSynonyms
2(((E)(4methyl3nitrophenyl)methylidene)amino)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)(N+)(=O)(O)
InChI=1SC17H15N3O4c192310(613(9)20(23)24)8181916(21)14114512(711)15(14)17(19)22h26811121415H7H21H3b188+
MFCD02066527
O=C1N(N=Cc2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1C=CC2C1
ZINC000101021267
ZINC000245227044
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