Vitas-M small molecule compound
1-ethyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK316479
SMILES CCn1ncc(c1C(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)[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 C14H13N5O5S2 MW 395.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N5O5S2/c1-3-18-12(10(7-15-18)19(21)22)13(20)17-14-16-9-5-4-8(26(2,23)24)6-11(9)25-14/h4-7H,3H2,1-2H3,(H,16,17,20)InChIKey
QVFJUNASFAPMFX-UHFFFAOYSA-NSynonyms
490032-55-81ETHYL4NITRON(6(METHYLSULFONYL)13BENZOTHIAZOL2YL)1HPYRAZOLE5CARBOXAMIDE
1ethylN(6(methylsulfonyl)13benzothiazol2yl)4nitro1Hpyrazole5carboxamide
2ETHYLN(6METHYLSULFONYL13BENZOTHIAZOL2YL)4NITROPYRAZOLE3CARBOXAMIDE
490032558
CCN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C
CCn1ncc(c1C(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)(N+)(=O)(O)
InChI=1SC14H13N5O5S2c131812(10(71518)19(21)22)13(20)1714169548(26(223)24)611(9)2514h47H3H212H3(H161720)
MFCD03071179
ZINC000002761916
ZINC02761916
ZINC2761916
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