Vitas-M small molecule compound
N-{(1Z)-3-{[3-(dimethylamino)propyl]amino}-1-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK076471
SMILES CN(CCCNC(=O)/C(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/NC(=O)c1ccccc1)C
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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 C30H30N6O4 MW 538.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N6O4/c1-34(2)18-10-17-31-30(38)27(32-29(37)22-11-5-3-6-12-22)20-24-21-35(25-14-7-4-8-15-25)33-28(24)23-13-9-16-26(19-23)36(39)40/h3-9,11-16,19-21H,10,17-18H2,1-2H3,(H,31,38)(H,32,37)/b27-20-InChIKey
ADUJMCAPLRGPBB-OOAXWGSJSA-NSynonyms
(2Z)N(3(DIMETHYLAMINO)PROPYL)3(3(3NITROPHENYL)1PHENYLPYRAZOL4YL)2(PHENYLCARBONYLAMINO)PROP2ENAMIDE
CN(C)CCCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
CN(CCCNC(=O)C(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)NC(=O)c1ccccc1)C
InChI=1SC30H30N6O4c134(2)1810173130(38)27(3229(37)22115361222)20242135(25147481525)3328(24)231391626(1923)36(39)40h3911161921H101718H212H3(H3138)(H3237)b2720
MFCD03650966
N((1Z)3((3(DIMETHYLAMINO)PROPYL)AMINO)1(3(3NITROPHENYL)1PHENYL1HPYRAZOL4YL)3OXOPROP1EN2YL)BENZAMIDE
N((Z)3(3(DIMETHYLAMINO)PROPYLAMINO)1(3(3NITROPHENYL)1PHENYLPYRAZOL4YL)3OXOPROP1EN2YL)BENZAMIDE
STK076471
ZINC000100842090
ZINC100842090
Check stock
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