Vitas-M small molecule compound
2-{[5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-nitrophenyl)acetamide
Catalog ID
STK242946
SMILES COc1ccc(cc1NC(=O)CSc1nnc([nH]1)c1cc(Cl)ccc1OC)[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 C18H16ClN5O5S MW 449.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O5S/c1-28-14-5-3-10(19)7-12(14)17-21-18(23-22-17)30-9-16(25)20-13-8-11(24(26)27)4-6-15(13)29-2/h3-8H,9H2,1-2H3,(H,20,25)(H,21,22,23)InChIKey
JXPSAKSCGDXKOG-UHFFFAOYSA-NSynonyms
2((5(5chloro2methoxyphenyl)1H124triazol3yl)sulfanyl)N(2methoxy5nitrophenyl)acetamide
2((5(5CHLORO2METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(2METHOXY5NITROPHENYL)ACETAMIDE
COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))OC
COc1ccc(cc1NC(=O)CSc1nnc((nH)1)c1cc(Cl)ccc1OC)(N+)(=O)(O)
InChI=1SC18H16ClN5O5Sc128145310(19)712(14)172118(232217)30916(25)2013811(24(26)27)4615(13)292h38H9H212H3(H2025)(H212223)
MFCD08672600
ZINC000009227544
ZINC09227544
ZINC9227544
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