Vitas-M small molecule compound

7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol

Catalog ID
STK622491
SMILES Sc1nc2c([nH]1)cc1c(c2)OCCCO1

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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 C10H10N2O2S MW 222.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10N2O2S/c15-10-11-6-4-8-9(5-7(6)12-10)14-3-1-2-13-8/h4-5H,1-3H2,(H2,11,12,15)
InChIKey
OFJYDOHABMNROX-UHFFFAOYSA-N
Synonyms
81864-58-6
1678tetrahydro(14)dioxepino(2345)benzo(12d)imidazole2thiol
3678tetrahydro1H(14)dioxepino(23f)benzimidazole2thione
6H7H8H14DIOXEPANO(23F)BENZIMIDAZOLE2THIOL
78dihydro1H6H(14)dioxepino(23f)benzimidazole2thiol
81864586
C1COC2=C(C=C3C(=C2)NC(=S)N3)OC1
InChI=1SC10H10N2O2Sc1510116489(57(6)1210)14312138h45H13H2(H2111215)
MFCD01105778
Sc1nc2c((nH)1)cc1c(c2)OCCCO1
ZINC000006505264
ZINC06505264
ZINC6505264

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Available files

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