Vitas-M small molecule compound
methyl 3-isothiocyanato-4-phenyl-1H-pyrrole-2-carboxylate
Catalog ID
STL083816
SMILES S=C=Nc1c(c[nH]c1C(=O)OC)c1ccccc1
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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 C13H10N2O2S MW 258.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O2S/c1-17-13(16)12-11(15-8-18)10(7-14-12)9-5-3-2-4-6-9/h2-7,14H,1H3InChIKey
MZULKXDZYVRDQF-UHFFFAOYSA-NSynonyms
1019186-71-01019186710
COC(=O)C1=C(C(=CN1)C2=CC=CC=C2)N=C=S
InChI=1SC13H10N2O2Sc11713(16)1211(15818)10(71412)9532469h2714H1H3
methyl3isothiocyanato4phenyl1Hpyrrole2carboxylate
MFCD14728006
S=C=Nc1c(c(nH)c1C(=O)OC)c1ccccc1
ZINC000013362955
ZINC13362955
Check stock
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