Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide
Catalog ID
STL416252
SMILES COc1cc(ccc1NC(=O)CSc1nnc([nH]1)c1ccc(cc1)Cl)[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 C17H14ClN5O4S MW 419.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O4S/c1-27-14-8-12(23(25)26)6-7-13(14)19-15(24)9-28-17-20-16(21-22-17)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,24)(H,20,21,22)InChIKey
DQESMZKXKBHEKB-UHFFFAOYSA-NSynonyms
2((5(4CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)N(2METHOXY4NITROPHENYL)ACETAMIDE
2((5(4chlorophenyl)4H124triazol3yl)sulfanyl)N(2methoxy4nitrophenyl)acetamide
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl
COc1cc(ccc1NC(=O)CSc1nnc((nH)1)c1ccc(cc1)Cl)(N+)(=O)(O)
InChI=1SC17H14ClN5O4Sc12714812(23(25)26)6713(14)1915(24)928172016(212217)102411(18)5310h28H9H21H3(H1924)(H202122)
MFCD05842232
ZINC000014137180
ZINC14137180
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