Vitas-M small molecule compound

N-{2-methyl-1-[4-methyl-5-({1-[(3-nitrophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide

Catalog ID
STK278740
SMILES CCC(C(=O)Nc1cccc(c1)[N+](=O)[O-])Sc1nnc(n1C)C(C(C)C)NC(=O)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 C24H28N6O4S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N6O4S/c1-5-19(23(32)25-17-12-9-13-18(14-17)30(33)34)35-24-28-27-21(29(24)4)20(15(2)3)26-22(31)16-10-7-6-8-11-16/h6-15,19-20H,5H2,1-4H3,(H,25,32)(H,26,31)
InChIKey
DMRKLKYSFKJULR-UHFFFAOYSA-N
Synonyms

CCC(C(=O)NC1=CC(=CC=C1)(N+)(=O)(O))SC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=CC=C3
CCC(C(=O)Nc1cccc(c1)(N+)(=O)(O))Sc1nnc(n1C)C(C(C)C)NC(=O)c1ccccc1
InChI=1SC24H28N6O4Sc1519(23(32)25171291318(1417)30(33)34)3524282721(29(24)4)20(15(2)3)2622(31)16107681116h6151920H5H214H3(H2532)(H2631)
MFCD09269514
N(2methyl1(4methyl5((1((3nitrophenyl)amino)1oxobutan2yl)sulfanyl)4H124triazol3yl)propyl)benzamide
N(2methyl1(4methyl5(1(3nitroanilino)1oxobutan2yl)sulfanyl124triazol3yl)propyl)benzamide
N(2METHYL1(4METHYL5(1(3NITROPHENYLCARBAMOYL)PROPYLSULFANYL)4H(124)TRIAZOL3YL)PROPYL)BENZAMIDE
ZINC000009095876
ZINC000009095879

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Available files

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