Vitas-M small molecule compound

3-cyano-3-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate

Catalog ID
STK062644
SMILES N#C/C(=c\1/[nH]c2c([nH]1)cccc2)/C(=O)CSC(=S)N1CCOCC1

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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 C16H16N4O2S2 MW 360.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2S2/c17-9-11(15-18-12-3-1-2-4-13(12)19-15)14(21)10-24-16(23)20-5-7-22-8-6-20/h1-4,18-19H,5-8,10H2
InChIKey
JEYBXGVSGWEXDT-UHFFFAOYSA-N
Synonyms

(2Z)3(1HBENZIMIDAZOL2YL)3CYANO2HYDROXYPROP2EN1YLMORPHOLINE4CARBODITHIOATE
(3CYANO3(13DIHYDROBENZIMIDAZOL2YLIDENE)2OXOPROPYL)MORPHOLINE4CARBODITHIOATE
2(3HYDROBENZIMIDAZOL2YLIDENE)4(MORPHOLIN4YLTHIOXOMETHYLTHIO)3OXOBUTANENITRILE
3(1Hbenzo(d)imidazol2(3H)ylidene)3cyano2oxopropylmorpholine4carbodithioate
3CYANO3(13DIHYDRO2HBENZIMIDAZOL2YLIDENE)2OXOPROPYLMORPHOLINE4CARBODITHIOATE
C1COCCN1C(=S)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N
InChI=1SC16H16N4O2S2c17911(151812312413(12)1915)14(21)102416(23)2057228620h141819H5810H2
MFCD03299148
N#CC(=c1(nH)c2c((nH)1)cccc2)C(=O)CSC(=S)N1CCOCC1
STK062644
ZINC000002308134
ZINC02308134
ZINC101477868
ZINC2308134

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Available files

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