Vitas-M small molecule compound
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK301915
SMILES OCC(CSc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(c1)[N+](=O)[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 C17H16N2O7S MW 392.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O7S/c20-7-13(21)8-27-14-5-11(4-12(6-14)19(23)24)18-17(22)10-1-2-15-16(3-10)26-9-25-15/h1-6,13,20-21H,7-9H2,(H,18,22)InChIKey
UIPMJBWQGKXTCY-UHFFFAOYSA-NSynonyms
438224-25-0438224250
C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SCC(CO)O)(N+)(=O)(O)
InChI=1SC17H16N2O7Sc20713(21)82714511(412(614)19(23)24)1817(22)10121516(310)2692515h16132021H79H2(H1822)
MFCD03466200
N(3((23dihydroxypropyl)sulfanyl)5nitrophenyl)13benzodioxole5carboxamide
N(3(23DIHYDROXYPROPYLSULFANYL)5NITROPHENYL)13BENZODIOXOLE5CARBOXAMIDE
OCC(CSc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(c1)(N+)(=O)(O))O
ZINC000002749300
ZINC000002749301
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