Vitas-M small molecule compound
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK768211
SMILES OCCSc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(c1)[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 C16H14N2O6S MW 362.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O6S/c19-3-4-25-13-7-11(6-12(8-13)18(21)22)17-16(20)10-1-2-14-15(5-10)24-9-23-14/h1-2,5-8,19H,3-4,9H2,(H,17,20)InChIKey
MXLKSHWFYLMHNO-UHFFFAOYSA-NSynonyms
2HBENZO(34D)13DIOXOLAN5YLN(5(2HYDROXYETHYLTHIO)3NITROPHENYL)CARBOXAMIDE
BENZO(13)DIOXOLE5CARBOXYLICACID(3(2HYDROXYETHYLSULFANYL)5NITROPHENYL)AMIDE
C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SCCO)(N+)(=O)(O)
InChI=1SC16H14N2O6Sc19342513711(612(813)18(21)22)1716(20)10121415(510)2492314h125819H349H2(H1720)
MFCD03308559
N(3((2hydroxyethyl)sulfanyl)5nitrophenyl)13benzodioxole5carboxamide
N(3(2HYDROXYETHYLSULFANYL)5NITROPHENYL)13BENZODIOXOLE5CARBOXAMIDE
OCCSc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(c1)(N+)(=O)(O)
ZINC000002503741
ZINC02503741
ZINC2503741
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