Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide
Catalog ID
STK197815
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)c1cc2c(o1)cccc2
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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 C20H17N5O4S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4S/c1-12-7-8-14(10-15(12)25(27)28)21-18(26)11-30-20-23-22-19(24(20)2)17-9-13-5-3-4-6-16(13)29-17/h3-10H,11H2,1-2H3,(H,21,26)InChIKey
YUEPJJXIUQVORQ-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
2((5(1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3)(N+)(=O)(O)
InChI=1SC20H17N5O4Sc1127814(1015(12)25(27)28)2118(26)113020232219(24(20)2)17913534616(13)2917h310H11H212H3(H2126)
MFCD06625421
O=C(Nc1ccc(c(c1)(N+)(=O)(O))C)CSc1nnc(n1C)c1cc2c(o1)cccc2
ZINC000002873631
ZINC02873631
ZINC2873631
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