Vitas-M small molecule compound
N-(3,5-dimethylphenyl)-4-({[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Catalog ID
STK147443
SMILES Cc1cc(cc(c1)C)NC(=O)c1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)[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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-16-11-17(2)13-21(12-16)26-24(31)19-9-7-18(8-10-19)15-34-25-28-27-23(29(25)3)20-5-4-6-22(14-20)30(32)33/h4-14H,15H2,1-3H3,(H,26,31)InChIKey
YUCZHQAAWGEPEO-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C)C4=CC(=CC=C4)(N+)(=O)(O))C
Cc1cc(cc(c1)C)NC(=O)c1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H23N5O3Sc1161117(2)1321(1216)2624(31)199718(81019)153425282723(29(25)3)2054622(1420)30(32)33h414H15H213H3(H2631)
MFCD04341279
N(35DIMETHYLPHENYL)4(((4METHYL5(3NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZAMIDE
N(35DIMETHYLPHENYL)4((4METHYL5(3NITROPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZAMIDE
ZINC000001112886
ZINC01112886
ZINC1112886
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