Vitas-M small molecule compound

N-{(1Z)-3-(dimethylamino)-1-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide

Catalog ID
STK036144
SMILES CN(C(=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 C27H23N5O4 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O4/c1-30(2)27(34)24(28-26(33)19-10-5-3-6-11-19)17-21-18-31(22-13-7-4-8-14-22)29-25(21)20-12-9-15-23(16-20)32(35)36/h3-18H,1-2H3,(H,28,33)/b24-17-
InChIKey
BVZXCSPQDBGABB-ULJHMMPZSA-N
Synonyms
956185-08-3
(2Z)NNDIMETHYL3(3(3NITROPHENYL)1PHENYLPYRAZOL4YL)2(PHENYLCARBONYLAMINO)PROP2ENAMIDE
(Z)N(3(dimethylamino)1(3(3nitrophenyl)1phenyl1Hpyrazol4yl)3oxoprop1en2yl)benzamide
956185083
CN(C(=O)C(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)NC(=O)c1ccccc1)C
CN(C)C(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI=1SC27H23N5O4c130(2)27(34)24(2826(33)19105361119)17211831(22137481422)2925(21)201291523(1620)32(35)36h318H12H3(H2833)b2417
MFCD03032961
N((1Z)3(DIMETHYLAMINO)1(3(3NITROPHENYL)1PHENYL1HPYRAZOL4YL)3OXOPROP1EN2YL)BENZAMIDE
N((Z)1DIMETHYLCARBAMOYL2(3(3NITROPHENYL)1PHENYL1HPYRAZOL4YL)VINYL)BENZAMIDE
N((Z)3(DIMETHYLAMINO)1(3(3NITROPHENYL)1PHENYLPYRAZOL4YL)3OXOPROP1EN2YL)BENZAMIDE
STK036144
ZINC000001464442
ZINC01464442
ZINC1464442

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Available files

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