Vitas-M small molecule compound
2-{[4-methyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK473038
SMILES CC1CCc2c(C1)scc2c1nnc(n1C)SCC(=O)Nc1cccc(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 C20H21N5O3S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S2/c1-12-6-7-15-16(10-29-17(15)8-12)19-22-23-20(24(19)2)30-11-18(26)21-13-4-3-5-14(9-13)25(27)28/h3-5,9-10,12H,6-8,11H2,1-2H3,(H,21,26)InChIKey
UTERQZRPPDXFAN-UHFFFAOYSA-NSynonyms
2((4methyl5(6methyl4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((4methyl5(6methyl4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
CC1CCC2=C(C1)SC=C2C3=NN=C(N3C)SCC(=O)NC4=CC(=CC=C4)(N+)(=O)(O)
CC1CCc2c(C1)scc2c1nnc(n1C)SCC(=O)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H21N5O3S2c112671516(102917(15)812)19222320(24(19)2)301118(26)211343514(913)25(27)28h3591012H6811H212H3(H2126)
MFCD07078103
ZINC000019638655
ZINC000019638661
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