Vitas-M small molecule compound

1-{5-[(4-chlorophenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}propan-2-one

Catalog ID
STK208770
SMILES CC(=O)Cn1nc(nc1Sc1ccc(cc1)Cl)[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 C11H9ClN4O3S MW 312.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9ClN4O3S/c1-7(17)6-15-11(13-10(14-15)16(18)19)20-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3
InChIKey
ATQXPMQCQWCWOY-UHFFFAOYSA-N
Synonyms
727386-85-8
1(5((4CHLOROPHENYL)SULFANYL)3NITRO1H124TRIAZOL1YL)ACETONE
1(5((4CHLOROPHENYL)SULFANYL)3NITRO1H124TRIAZOL1YL)PROPAN2ONE
1(5((4chlorophenyl)thio)3nitro1H124triazol1yl)propan2one
1(5(4CHLOROPHENYL)SULFANYL3NITRO124TRIAZOL1YL)PROPAN2ONE
1(5(4CHLOROPHENYLSULFANYL)3NITRO(124)TRIAZOL1YL)PROPAN2ONE
727386858
CC(=O)CN1C(=NC(=N1)(N+)(=O)(O))SC2=CC=C(C=C2)Cl
CC(=O)Cn1nc(nc1Sc1ccc(cc1)Cl)(N+)(=O)(O)
InChI=1SC11H9ClN4O3Sc17(17)61511(1310(1415)16(18)19)209428(12)359h25H6H21H3
MFCD06193800
ZINC000002194837
ZINC02194837
ZINC2194837

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Available files

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