Vitas-M small molecule compound

methyl (3Z)-3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-oxocyclohexa-1,5-diene-1-carboxylate

Catalog ID
STK785126
SMILES COC(=O)C1=C/C(=C\2/SSN=C2Cl)/C(=O)C=C1

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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 C10H6ClNO3S2 MW 287.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H6ClNO3S2/c1-15-10(14)5-2-3-7(13)6(4-5)8-9(11)12-17-16-8/h2-4H,1H3/b8-6-
InChIKey
WDEILBHFZUQGNA-VURMDHGXSA-N
Synonyms

COC(=O)C1=CC(=C2C(=NSS2)Cl)C(=O)C=C1
COC(=O)C1=CC(=C2SSN=C2Cl)C(=O)C=C1
InChI=1SC10H6ClNO3S2c11510(14)5237(13)6(45)89(11)1217168h24H1H3b86
methyl(3Z)3(4chloro5H123dithiazol5ylidene)4oxocyclohexa15diene1carboxylate
METHYL(3Z)3(4CHLORODITHIAZOL5YLIDENE)4OXOCYCLOHEXA15DIENE1CARBOXYLATE
MFCD07657830
ZINC000032165711
ZINC32165711

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Available files

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