Vitas-M small molecule compound
2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl thiocyanate
Catalog ID
STL387860
SMILES [O-][N+](=O)c1cc(NC(=O)CSC#N)c(cc1)C
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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 C10H9N3O3S MW 251.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9N3O3S/c1-7-2-3-8(13(15)16)4-9(7)12-10(14)5-17-6-11/h2-4H,5H2,1H3,(H,12,14)InChIKey
QKPNLRVDGQUUJX-UHFFFAOYSA-NSynonyms
1795502-86-1(2(2methyl5nitroanilino)2oxoethyl)thiocyanate
(O)(N+)(=O)c1cc(NC(=O)CSC#N)c(cc1)C
1795502861
2((2METHYL5NITROPHENYL)AMINO)2OXOETHYLTHIOCYANATE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC#N
InChI=1SC10H9N3O3Sc17238(13(15)16)49(7)1210(14)517611h24H5H21H3(H1214)
MFCD28143082
ZINC000098063969
ZINC98063969
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