Vitas-M small molecule compound
ethyl 3-(3-nitrophenyl)-2-thiocyanatopropanoate
Catalog ID
STK952019
SMILES CCOC(=O)C(Cc1cccc(c1)[N+](=O)[O-])SC#N
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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 C12H12N2O4S MW 280.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O4S/c1-2-18-12(15)11(19-8-13)7-9-4-3-5-10(6-9)14(16)17/h3-6,11H,2,7H2,1H3InChIKey
CZZJTVHHLYOZCJ-UHFFFAOYSA-NSynonyms
300818-44-4300818444
CCOC(=O)C(CC1=CC(=CC=C1)(N+)(=O)(O))SC#N
CCOC(=O)C(Cc1cccc(c1)(N+)(=O)(O))SC#N
ETHYL2CYANOTHIO3(3NITROPHENYL)PROPANOATE
ethyl3(3nitrophenyl)2thiocyanatopropanoate
InChI=1SC12H12N2O4Sc121812(15)11(19813)7943510(69)14(16)17h3611H27H21H3
MFCD00667687
ZINC000001737758
ZINC000001737760
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