Vitas-M small molecule compound
methyl 2-isothiocyanato-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436915
SMILES S=C=Nc1sc2c(c1C(=O)OC)CCC(C2)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 C12H13NO2S2 MW 267.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO2S2/c1-7-3-4-8-9(5-7)17-11(13-6-16)10(8)12(14)15-2/h7H,3-5H2,1-2H3InChIKey
HMLSGWSAVOKQNI-UHFFFAOYSA-NSynonyms
588713-28-4588713284
CC1CCC2=C(C1)SC(=C2C(=O)OC)N=C=S
InChI=1SC12H13NO2S2c173489(57)1711(13616)10(8)12(14)152h7H35H212H3
methyl2isothiocyanato6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945145
ZINC000002522252
ZINC000008241320
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