Vitas-M small molecule compound
6'-amino-5-nitro-2-oxo-3'-(thiophen-2-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STK766126
SMILES N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(cc1)[N+](=O)[O-])c(n[nH]2)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 C18H10N6O4S MW 406.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10N6O4S/c19-7-10-15(20)28-16-13(14(22-23-16)12-2-1-5-29-12)18(10)9-6-8(24(26)27)3-4-11(9)21-17(18)25/h1-6H,20H2,(H,21,25)(H,22,23)InChIKey
TWBOPQZIUPASEQ-UHFFFAOYSA-NSynonyms
6amino5nitro2oxo3(thiophen2yl)12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO5NITRO2OXO3THIOPHEN2YL12DIHYDRO2HSPIRO(INDOLE34PYRANO(23C)PYRAZOLE)5CARBONITRILE
6AMINO5NITRO2OXO3THIOPHEN2YLSPIRO(1HINDOLE342HPYRANO(23C)PYRAZOLE)5CARBONITRILE
C1=CSC(=C1)C2=C3C(=NN2)OC(=C(C34C5=C(C=CC(=C5)(N+)(=O)(O))NC4=O)C#N)N
InChI=1SC18H10N6O4Sc1971015(20)281613(14(222316)122152912)18(10)968(24(26)27)3411(9)2117(18)25h16H20H2(H2125)(H2223)
MFCD03035920
N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(cc1)(N+)(=O)(O))c(n(nH)2)c1cccs1
ZINC000008439708
ZINC000008439710
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