Vitas-M small molecule compound

5,5,8-trimethyl-3,5,5a,6,7,8,9,9a-octahydro-2H-isothiochromeno[3,4-d][1,3]thiazol-2-one

Catalog ID
STK737710
SMILES CC1CCC2C(C1)c1sc(=O)[nH]c1SC2(C)C

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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 C13H19NOS2 MW 269.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19NOS2/c1-7-4-5-9-8(6-7)10-11(14-12(15)16-10)17-13(9,2)3/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
OQJMAILQCVBBBU-UHFFFAOYSA-N
Synonyms
1164479-07-5
1164479075
558trimethyl355a67899aoctahydro2Hisothiochromeno(34d)(13)thiazol2one
558trimethyl355a67899aoctahydro2Hisothiochromeno(34d)thiazol2one
558trimethyl5a67899ahexahydro3Hisothiochromeno(34d)(13)thiazol2one
CC1CCC2C(C1)c1sc(=O)(nH)c1SC2(C)C
CC1CCC2C(C1)C3=C(NC(=O)S3)SC2(C)C
InChI=1SC13H19NOS2c174598(67)1011(1412(15)1610)1713(92)3h79H46H213H3(H1415)
MFCD03621034
ZINC000003905269
ZINC000239378392

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Available files

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