Vitas-M small molecule compound
1-[(4-methoxy-3-methylphenyl)sulfonyl]-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
Catalog ID
STL195698
SMILES COc1ccc(cc1C)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc(c1C)[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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-14-12-17(9-10-20(14)30-3)31(28,29)23-11-5-6-16(13-23)21(25)22-18-7-4-8-19(15(18)2)24(26)27/h4,7-10,12,16H,5-6,11,13H2,1-3H3,(H,22,25)InChIKey
XQVBKCBCERJQLJ-UHFFFAOYSA-NSynonyms
(3R)1((4METHOXY3METHYLPHENYL)SULFONYL)N(2METHYL3NITROPHENYL)PIPERIDINE3CARBOXAMIDE
1((4methoxy3methylphenyl)sulfonyl)N(2methyl3nitrophenyl)piperidine3carboxamide
1(4METHOXY3METHYLPHENYL)SULFONYLN(2METHYL3NITROPHENYL)PIPERIDINE3CARBOXAMIDE
CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C(=CC=C3)(N+)(=O)(O))C)OC
COc1ccc(cc1C)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc(c1C)(N+)(=O)(O)
InChI=1SC21H25N3O6Sc1141217(91020(14)303)31(2829)23115616(1323)21(25)221874819(15(18)2)24(26)27h47101216H561113H213H3(H2225)
MFCD06002218
ZINC000001077729
ZINC000001077732
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