Vitas-M small molecule compound
methyl 2-isothiocyanato-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK436884
SMILES S=C=Nc1sc2c(c1C(=O)OC)CCCCCC2
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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 C13H15NO2S2 MW 281.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO2S2/c1-16-13(15)11-9-6-4-2-3-5-7-10(9)18-12(11)14-8-17/h2-7H2,1H3InChIKey
RWSOHHLCOWETST-UHFFFAOYSA-NSynonyms
588714-23-2588714232
COC(=O)C1=C(SC2=C1CCCCCC2)N=C=S
InChI=1SC13H15NO2S2c11613(15)11964235710(9)1812(11)14817h27H21H3
methyl2isothiocyanato456789hexahydrocycloocta(b)thiophene3carboxylate
METHYL2ISOTHIOCYANATO4H5H6H7H8H9HCYCLOOCTA(B)THIOPHENE3CARBOXYLATE
MFCD03945232
ZINC000006145336
ZINC06145336
ZINC6145336
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