Vitas-M small molecule compound

(4-nitro-1H-pyrazol-3-yl)[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]methanone

Catalog ID
STL402264
SMILES O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1cccs1

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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 C12H13N5O5S2 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O5S2/c18-12(11-9(17(19)20)8-13-14-11)15-3-5-16(6-4-15)24(21,22)10-2-1-7-23-10/h1-2,7-8H,3-6H2,(H,13,14)
InChIKey
UXBBZTALRBWKBI-UHFFFAOYSA-N
Synonyms
1005590-98-6
(4nitro1Hpyrazol3yl)(4(thiophen2ylsulfonyl)piperazin1yl)methanone
(4nitro1Hpyrazol5yl)(4thiophen2ylsulfonylpiperazin1yl)methanone
1005590986
C1CN(CCN1C(=O)C2=C(C=NN2)(N+)(=O)(O))S(=O)(=O)C3=CC=CS3
InChI=1SC12H13N5O5S2c1812(119(17(19)20)8131411)153516(6415)24(2122)102172310h1278H36H2(H1314)
MFCD04134543
O=C(c1n(nH)cc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1cccs1
ZINC000017076070
ZINC17076070

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Available files

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