Vitas-M small molecule compound

dimethyl 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Catalog ID
STL330864
SMILES COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)c1ccc(c(c1)OC)OC

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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 C20H21NO7S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO7S/c1-25-12-7-5-10(9-13(12)26-2)17(22)21-18-16(20(24)28-4)15-11(19(23)27-3)6-8-14(15)29-18/h5,7,9,11H,6,8H2,1-4H3,(H,21,22)
InChIKey
PHJLSGMPOHKPHM-UHFFFAOYSA-N
Synonyms
302802-61-5
302802615
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)OC
dimethyl2(((34dimethoxyphenyl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2((34DIMETHOXYBENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(34dimethoxybenzamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC20H21NO7Sc125127510(913(12)262)17(22)211816(20(24)284)1511(19(23)273)6814(15)2918h57911H68H214H3(H2122)
METHYL2((34DIMETHOXYPHENYL)CARBONYLAMINO)3(METHOXYCARBONYL)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD02080792
ZINC000000622590
ZINC000000622591

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Available files

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