Vitas-M small molecule compound
6'-amino-1-methyl-5-nitro-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STK980320
SMILES N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cc(cc1)[N+](=O)[O-])C)c(n[nH]2)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 C21H14N6O4 MW 414.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N6O4/c1-26-15-8-7-12(27(29)30)9-13(15)21(20(26)28)14(10-22)18(23)31-19-16(21)17(24-25-19)11-5-3-2-4-6-11/h2-9H,23H2,1H3,(H,24,25)InChIKey
YGHZHYNTQAPARE-UHFFFAOYSA-NSynonyms
6amino1methyl5nitro2oxo3phenyl12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO1METHYL5NITRO2OXO3PHENYLSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)5CARBONITRILE
CN1C2=C(C=C(C=C2)(N+)(=O)(O))C3(C1=O)C(=C(OC4=NNC(=C34)C5=CC=CC=C5)N)C#N
InChI=1SC21H14N6O4c126158712(27(29)30)913(15)21(20(26)28)14(1022)18(23)311916(21)17(242519)115324611h29H23H21H3(H2425)
MFCD05994857
N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cc(cc1)(N+)(=O)(O))C)c(n(nH)2)c1ccccc1
ZINC000015016720
ZINC000015016721
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