Vitas-M small molecule compound
methyl 2-isothiocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK436906
SMILES S=C=Nc1sc2c(c1C(=O)OC)CCCCC2
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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/c1-15-12(14)10-8-5-3-2-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3InChIKey
VNBQHESWEMVAQR-UHFFFAOYSA-NSynonyms
588695-57-2588695572
COC(=O)C1=C(SC2=C1CCCCC2)N=C=S
InChI=1SC12H13NO2S2c11512(14)108532469(8)1711(10)13716h26H21H3
METHYL2ISOTHIOCYANATO4H5H6H7H8HCYCLOHEPTA(B)THIOPHENE3CARBOXYLATE
methyl2isothiocyanato5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03944636
ZINC000008205563
ZINC08205563
ZINC8205563
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