Vitas-M small molecule compound

2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide

Catalog ID
STL401248
SMILES Cc1ccc(cc1)Sc1cc(NC(=O)C(Cn2ncc(c2)[N+](=O)[O-])C)cc(c1)[N+](=O)[O-]

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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 C20H19N5O5S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5S/c1-13-3-5-18(6-4-13)31-19-8-15(7-16(9-19)24(27)28)22-20(26)14(2)11-23-12-17(10-21-23)25(29)30/h3-10,12,14H,11H2,1-2H3,(H,22,26)
InChIKey
DXWNGNDHSAGTBR-UHFFFAOYSA-N
Synonyms
1005569-65-2
1005569652
2methylN(3((4methylphenyl)sulfanyl)5nitrophenyl)3(4nitro1Hpyrazol1yl)propanamide
2methylN(3(4methylphenyl)sulfanyl5nitrophenyl)3(4nitropyrazol1yl)propanamide
CC1=CC=C(C=C1)SC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C(C)CN3C=C(C=N3)(N+)(=O)(O)
Cc1ccc(cc1)Sc1cc(NC(=O)C(Cn2ncc(c2)(N+)(=O)(O))C)cc(c1)(N+)(=O)(O)
InChI=1SC20H19N5O5Sc1133518(6413)3119815(716(919)24(27)28)2220(26)14(2)11231217(102123)25(29)30h3101214H11H212H3(H2226)
MFCD04136011
ZINC000002805275
ZINC000002805276

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Available files

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