Vitas-M small molecule compound

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

Catalog ID
STK968723
SMILES COC(=O)c1c(NC(=O)COc2ccc(cc2Br)Br)sc2c1C(CC2)C(=O)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 C19H17Br2NO6S MW 547.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Br2NO6S/c1-26-18(24)10-4-6-13-15(10)16(19(25)27-2)17(29-13)22-14(23)8-28-12-5-3-9(20)7-11(12)21/h3,5,7,10H,4,6,8H2,1-2H3,(H,22,23)
InChIKey
QDWAIHNCVZFRCT-UHFFFAOYSA-N
Synonyms
302802-75-1
302802751
COC(=O)C1CCC2=C1C(=C(S2)NC(=O)COC3=C(C=C(C=C3)Br)Br)C(=O)OC
DIMETHYL(4S)2(((24DIBROMOPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(((24dibromophenoxy)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2((2(24DIBROMOPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
DIMETHYL2(2(24DIBROMOPHENOXY)ACETAMIDO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
InChI=1SC19H17Br2NO6Sc12618(24)10461315(10)16(19(25)272)17(2913)2214(23)82812539(20)711(12)21h35710H468H212H3(H2223)
METHYL2(2(24DIBROMOPHENOXY)ACETYLAMINO)3(METHOXYCARBONYL)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD02331734
ZINC000001744143
ZINC000003959321

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Available files

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