Vitas-M small molecule compound
N-{4-[(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)sulfonyl]phenyl}acetamide
Catalog ID
STK171967
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nncn1C)[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 C21H23N7O5S2 MW 517.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O5S2/c1-15(29)23-16-3-6-18(7-4-16)35(32,33)27-11-9-26(10-12-27)17-5-8-19(28(30)31)20(13-17)34-21-24-22-14-25(21)2/h3-8,13-14H,9-12H2,1-2H3,(H,23,29)InChIKey
OETJFZLJWXLSSM-UHFFFAOYSA-NSynonyms
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))SC4=NN=CN4C
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nncn1C)(N+)(=O)(O)
InChI=1SC21H23N7O5S2c115(29)23163618(7416)35(3233)2711926(101227)175819(28(30)31)20(1317)342124221425(21)2h381314H912H212H3(H2329)
MFCD05794932
N(4((4(3((4METHYL4H124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)SULFONYL)PHENYL)ACETAMIDE
N(4(4(3((4METHYL124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)SULFONYLPHENYL)ACETAMIDE
ZINC000009891918
ZINC09891918
ZINC9891918
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