Vitas-M small molecule compound
5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(prop-2-en-1-yl)aniline
Catalog ID
STK205989
SMILES C=CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
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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 C19H21ClN4O4S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN4O4S/c1-2-9-21-18-14-16(5-8-19(18)24(25)26)22-10-12-23(13-11-22)29(27,28)17-6-3-15(20)4-7-17/h2-8,14,21H,1,9-13H2InChIKey
DAQHIOBUROCQBS-UHFFFAOYSA-NSynonyms
5(4((4CHLOROPHENYL)SULFONYL)PIPERAZIN1YL)2NITRON(PROP2EN1YL)ANILINE
5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)2NITRONPROP2ENYLANILINE
C=CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
C=CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
InChI=1SC19H21ClN4O4Sc12921181416(5819(18)24(25)26)22101223(131122)29(2728)176315(20)4717h281421H1913H2
MFCD06167734
ZINC000009971790
ZINC09971790
ZINC9971790
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