Vitas-M small molecule compound
2-chloro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
Catalog ID
STL176160
SMILES OCCSc1cc(cc(c1)[N+](=O)[O-])NC(=O)c1cc(ccc1Cl)n1cnnn1
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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 C16H13ClN6O4S MW 420.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN6O4S/c17-15-2-1-11(22-9-18-20-21-22)8-14(15)16(25)19-10-5-12(23(26)27)7-13(6-10)28-4-3-24/h1-2,5-9,24H,3-4H2,(H,19,25)InChIKey
LYPUBMNAZXNKNS-UHFFFAOYSA-NSynonyms
438235-73-52chloroN(3((2hydroxyethyl)sulfanyl)5nitrophenyl)5(1Htetrazol1yl)benzamide
2CHLORON(3(2HYDROXYETHYLSULFANYL)5NITROPHENYL)5(TETRAZOL1YL)BENZAMIDE
438235735
C1=CC(=C(C=C1N2C=NN=N2)C(=O)NC3=CC(=CC(=C3)SCCO)(N+)(=O)(O))Cl
InChI=1SC16H13ClN6O4Sc17152111(22918202122)814(15)16(25)1910512(23(26)27)713(610)284324h125924H34H2(H1925)
MFCD03467911
OCCSc1cc(cc(c1)(N+)(=O)(O))NC(=O)c1cc(ccc1Cl)n1cnnn1
ZINC000002806066
ZINC02806066
ZINC2806066
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