Vitas-M small molecule compound

diethyl 2,2'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)

Catalog ID
STK047478
SMILES CCOC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)sc2c1CCC2

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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 C26H32N2O6S2 MW 532.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O6S2/c1-3-33-25(31)21-15-9-7-11-17(15)35-23(21)27-19(29)13-5-6-14-20(30)28-24-22(26(32)34-4-2)16-10-8-12-18(16)36-24/h3-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
UHCSCDSFLBZNRN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC
CCOC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)sc2c1CCC2
DIETHYL22((16DIOXOHEXANE16DIYL)DIIMINO)BIS(56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE)
ETHYL2((6((3(ETHOXYCARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIEN2YL)AMINO)6OXOHEXANOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ETHYL2((6((3ETHOXYCARBONYL56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)AMINO)6OXOHEXANOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC26H32N2O6S2c133325(31)2115971117(15)3523(21)2719(29)13561420(30)282422(26(32)3442)161081218(16)3624h314H212H3(H2729)(H2830)
MFCD01119870
STK047478
ZINC000006599661
ZINC06599661
ZINC6599661

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Available files

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