Vitas-M small molecule compound

ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK282008
SMILES CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCCC2

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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 C14H18ClNO3S MW 315.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClNO3S/c1-2-19-14(18)12-9-6-4-3-5-7-10(9)20-13(12)16-11(17)8-15/h2-8H2,1H3,(H,16,17)
InChIKey
BPXRKUOHWSBUQS-UHFFFAOYSA-N
Synonyms
76981-88-9
76981889
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCl
ethyl2((2chloroacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((chloroacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ETHYL2(2CHLOROACETAMIDO)4H5H6H7H8HCYCLOHEPTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC14H18ClNO3Sc121914(18)1296435710(9)2013(12)1611(17)815h28H21H3(H1617)
MFCD00782616
ZINC000004174274
ZINC04174274
ZINC4174274

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.