Vitas-M small molecule compound

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

Catalog ID
STK428432
SMILES COc1cc(ccc1OC)C(=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 C20H23NO5S MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S/c1-24-14-10-9-12(11-15(14)25-2)18(22)21-19-17(20(23)26-3)13-7-5-4-6-8-16(13)27-19/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKey
AWZKMNWZEJQUMQ-UHFFFAOYSA-N
Synonyms
438471-77-3
438471773
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)OC
InChI=1SC20H23NO5Sc1241410912(1115(14)252)18(22)211917(20(23)263)137546816(13)2719h911H48H213H3(H2122)
methyl2(((34dimethoxyphenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((34dimethoxybenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(34dimethoxybenzamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD02371523
ZINC000000672821
ZINC00672821
ZINC672821

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Available files

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