Vitas-M small molecule compound

1-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Catalog ID
STK774598
SMILES C=CCSc1nnc(s1)N1C(=O)CC(C2=C1CCCC2=O)c1cscc1

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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 C18H17N3O2S3 MW 403.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S3/c1-2-7-25-18-20-19-17(26-18)21-13-4-3-5-14(22)16(13)12(9-15(21)23)11-6-8-24-10-11/h2,6,8,10,12H,1,3-5,7,9H2
InChIKey
RUVDYSGLUFRAPQ-UHFFFAOYSA-N
Synonyms

1(5(prop2en1ylsulfanyl)134thiadiazol2yl)4(thiophen3yl)4678tetrahydroquinoline25(1H3H)dione
1(5prop2enylsulfanyl134thiadiazol2yl)4thiophen3yl4678tetrahydro3Hquinoline25dione
C=CCSC1=NN=C(S1)N2C3=C(C(CC2=O)C4=CSC=C4)C(=O)CCC3
InChI=1SC18H17N3O2S3c1272518201917(2618)211343514(22)16(13)12(915(21)23)1168241011h2681012H13579H2
MFCD04061030
ZINC000002493531
ZINC000002493533

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Available files

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