Vitas-M small molecule compound

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

Catalog ID
STK762480
SMILES CCCc1ccc(cc1)OC(C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2)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 C23H29NO4S MW 415.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4S/c1-4-8-16-11-13-17(14-12-16)28-15(2)21(25)24-22-20(23(26)27-3)18-9-6-5-7-10-19(18)29-22/h11-15H,4-10H2,1-3H3,(H,24,25)
InChIKey
OWWPNUGUKSIVDT-UHFFFAOYSA-N
Synonyms

CCCC1=CC=C(C=C1)OC(C)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC
InChI=1SC23H29NO4Sc14816111317(141216)2815(2)21(25)242220(23(26)273)1896571019(18)2922h1115H410H213H3(H2425)
methyl2((2(4propylphenoxy)propanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2(4propylphenoxy)propanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01871929
ZINC000003671199
ZINC000003671200

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Available files

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