Vitas-M small molecule compound
3-methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK316057
SMILES COc1n[nH]c(c1[N+](=O)[O-])C(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C
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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 C13H11N5O6S2 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O6S2/c1-24-12-10(18(20)21)9(16-17-12)11(19)15-13-14-7-4-3-6(26(2,22)23)5-8(7)25-13/h3-5H,1-2H3,(H,16,17)(H,14,15,19)InChIKey
ZFDFIAYSTPISLG-UHFFFAOYSA-NSynonyms
514817-06-23methoxyN(6(methylsulfonyl)13benzothiazol2yl)4nitro1Hpyrazole5carboxamide
3METHOXYN(6METHYLSULFONYL13BENZOTHIAZOL2YL)4NITRO1HPYRAZOLE5CARBOXAMIDE
4NITRO3METHOXYN(6(METHYLSULFONYL)13BENZOTHIAZOL2YL)1HPYRAZOLE5CARBOXAMIDE
514817062
COC1=NNC(=C1(N+)(=O)(O))C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C
COc1n(nH)c(c1(N+)(=O)(O))C(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C
InChI=1SC13H11N5O6S2c1241210(18(20)21)9(161712)11(19)1513147436(26(222)23)58(7)2513h35H12H3(H1617)(H141519)
MFCD03757447
ZINC000008450363
ZINC8450363
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