Vitas-M small molecule compound
methyl [(3-cyano-4-oxo-1-thia-5-azaspiro[5.5]undec-2-en-2-yl)sulfanyl]acetate
Catalog ID
STK061200
SMILES COC(=O)CSC1=C(C#N)C(=O)NC2(S1)CCCCC2
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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 C13H16N2O3S2 MW 312.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S2/c1-18-10(16)8-19-12-9(7-14)11(17)15-13(20-12)5-3-2-4-6-13/h2-6,8H2,1H3,(H,15,17)InChIKey
LDZXSQFIFVOBGA-UHFFFAOYSA-NSynonyms
33050-28-1((3CYANO4OXO1THIA5AZASPIRO(55)UNDECA2ENE2YL)THIO)ACETICACIDMETHYLESTER
COC(=O)CSC1=C(C#N)C(=O)NC2(S1)CCCCC2
COC(=O)CSC1=C(C(=O)NC2(S1)CCCCC2)C#N
InChI=1SC13H16N2O3S2c11810(16)819129(714)11(17)1513(2012)5324613h268H21H3(H1517)
METHYL((3CYANO4OXO1THIA5AZASPIRO(55)UNDEC2EN2YL)SULFANYL)ACETATE
methyl2((3cyano4oxo1thia5azaspiro(55)undec2en2yl)sulfanyl)acetate
methyl2((3cyano4oxo1thia5azaspiro(55)undec2en2yl)thio)acetate
METHYL2((9CYANO8OXO11THIA7AZASPIRO(55)UNDEC9EN10YL)SULFANYL)ACETATE
MFCD03303605
STK061200
ZINC000000202339
ZINC00202339
ZINC202339
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