Vitas-M small molecule compound

2-thioxo-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one

Catalog ID
STK774624
SMILES S=C1NCC(=O)Oc2c(N1)cccc2

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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 C9H8N2O2S MW 208.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N2O2S/c12-8-5-10-9(14)11-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,10,11,14)
InChIKey
MTWIURHWJJHYIG-UHFFFAOYSA-N
Synonyms

2SULFANYLIDENE34DIHYDRO1H613BENZOXADIAZOCIN5ONE
2thioxo1234tetrahydro5H613benzoxadiazocin5one
2THIOXO1H3H4HBENZO(G)146OXADIAZOCIN5ONE
C1C(=O)OC2=CC=CC=C2NC(=S)N1
InChI=1SC9H8N2O2Sc1285109(14)11631247(6)138h14H5H2(H2101114)
MFCD04061053
ZINC000001445975
ZINC01445975
ZINC1445975

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Available files

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