Vitas-M small molecule compound

1,3-bis(3-cyano-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)thiourea

Catalog ID
STK722765
SMILES CCC1(C)OCc2c(C1)c(C#N)c(s2)NC(=S)Nc1sc2c(c1C#N)CC(OC2)(C)CC

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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 C23H26N4O2S3 MW 486.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O2S3/c1-5-22(3)7-13-15(9-24)19(31-17(13)11-28-22)26-21(30)27-20-16(10-25)14-8-23(4,6-2)29-12-18(14)32-20/h5-8,11-12H2,1-4H3,(H2,26,27,30)
InChIKey
LCFDOBLTZSKOPX-UHFFFAOYSA-N
Synonyms

1((5R)3CYANO5ETHYL5METHYL47DIHYDRO5HTHIENO(23C)PYRAN2YL)3((5S)3CYANO5ETHYL5METHYL47DIHYDRO5HTHIENO(23C)PYRAN2YL)THIOUREA
13BIS((5S)3CYANO5ETHYL5METHYL47DIHYDRO5HTHIENO(23C)PYRAN2YL)THIOUREA
13bis(3cyano5ethyl5methyl47dihydro5Hthieno(23c)pyran2yl)thiourea
13BIS(3CYANO5ETHYL5METHYL47DIHYDROTHIENO(23C)PYRAN2YL)THIOUREA
13bis(3cyano5ethyl5methyl57dihydro4Hthieno(23c)pyran2yl)thiourea
CCC1(CC2=C(CO1)SC(=C2C#N)NC(=S)NC3=C(C4=C(S3)COC(C4)(C)CC)C#N)C
InChI=1SC23H26N4O2S3c1522(3)71315(924)19(3117(13)112822)2621(30)272016(1025)14823(462)291218(14)3220h581112H214H3(H2262730)
MFCD02241447
NNBIS(3CYANO5ETHYL5METHYL47DIHYDRO5HTHIENO(23C)PYRAN2YL)THIOUREA
ZINC000002298966
ZINC000012650142

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Available files

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