Vitas-M small molecule compound

3-(3-chlorophenyl)-5-[(2,4-dinitrophenyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole

Catalog ID
STL445483
SMILES CCn1c(nnc1c1cccc(c1)Cl)Sc1ccc(cc1[N+](=O)[O-])[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 C16H12ClN5O4S MW 405.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5O4S/c1-2-20-15(10-4-3-5-11(17)8-10)18-19-16(20)27-14-7-6-12(21(23)24)9-13(14)22(25)26/h3-9H,2H2,1H3
InChIKey
BXMFFAVQZMGRSE-UHFFFAOYSA-N
Synonyms
791106-51-9
3(3chlorophenyl)5((24dinitrophenyl)sulfanyl)4ethyl4H124triazole
3(3CHLOROPHENYL)5(24DINITROPHENYL)SULFANYL4ETHYL124TRIAZOLE
791106519
CCN1C(=NN=C1SC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C3=CC(=CC=C3)Cl
CCn1c(nnc1c1cccc(c1)Cl)Sc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H12ClN5O4Sc122015(1043511(17)810)181916(20)27147612(21(23)24)913(14)22(25)26h39H2H21H3
MFCD04505827
ZINC000006083656
ZINC06083656
ZINC6083656

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Available files

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