Vitas-M small molecule compound

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

Catalog ID
STK444943
SMILES ClCC(=O)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 C13H16ClNO3S MW 301.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClNO3S/c1-18-13(17)11-8-5-3-2-4-6-9(8)19-12(11)15-10(16)7-14/h2-7H2,1H3,(H,15,16)
InChIKey
QHLZGKBAMUAJHD-UHFFFAOYSA-N
Synonyms
438029-03-9
438029039
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCl
InChI=1SC13H16ClNO3Sc11813(17)118532469(8)1912(11)1510(16)714h27H21H3(H1516)
methyl2((2chloroacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((chloroacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
METHYL2(2CHLOROACETAMIDO)4H5H6H7H8HCYCLOHEPTA(B)THIOPHENE3CARBOXYLATE
MFCD01357147
ZINC000003885295
ZINC03885295
ZINC3885295

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Available files

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