Vitas-M small molecule compound
methyl 3-{[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl}propanoate
Catalog ID
STK767035
SMILES COC(=O)CCSc1cc(cc2c1c(no2)C1OCCO1)[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 C14H14N2O7S MW 354.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O7S/c1-20-11(17)2-5-24-10-7-8(16(18)19)6-9-12(10)13(15-23-9)14-21-3-4-22-14/h6-7,14H,2-5H2,1H3InChIKey
YAAUPGARPCNNAF-UHFFFAOYSA-NSynonyms
COC(=O)CCSC1=CC(=CC2=C1C(=NO2)C3OCCO3)(N+)(=O)(O)
COC(=O)CCSc1cc(cc2c1c(no2)C1OCCO1)(N+)(=O)(O)
InChI=1SC14H14N2O7Sc12011(17)25241078(16(18)19)6912(10)13(15239)1421342214h6714H25H21H3
methyl3((3(13dioxolan2yl)6nitro12benzoxazol4yl)sulfanyl)propanoate
METHYL3(3(13DIOXOLAN2YL)6NITROBENZO(23D)ISOXAZOL4YLTHIO)PROPANOATE
MFCD03036555
ZINC000001085870
ZINC01085870
ZINC1085870
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Check stock on Vitas-MAvailable files
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