Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitrophenyl)acetamide
Catalog ID
STL364196
SMILES CCn1c(SCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-])nnc1Cc1ccccc1
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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 C19H18ClN5O3S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O3S/c1-2-24-17(10-13-6-4-3-5-7-13)22-23-19(24)29-12-18(26)21-16-11-14(25(27)28)8-9-15(16)20/h3-9,11H,2,10,12H2,1H3,(H,21,26)InChIKey
RQMSSDSYABZUCP-UHFFFAOYSA-NSynonyms
2((5benzyl4ethyl124triazol3yl)sulfanyl)N(2chloro5nitrophenyl)acetamide
2((5benzyl4ethyl4H124triazol3yl)sulfanyl)N(2chloro5nitrophenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl)CC3=CC=CC=C3
CCn1c(SCC(=O)Nc2cc(ccc2Cl)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC19H18ClN5O3Sc122417(10136435713)222319(24)291218(26)21161114(25(27)28)8915(16)20h3911H21012H21H3(H2126)
MFCD04349520
ZINC000009189692
ZINC09189692
ZINC9189692
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