Vitas-M small molecule compound
ethyl [(4-amino-1-carbamoyl-5-cyano-3-azaspiro[5.5]undeca-2,4-dien-2-yl)sulfanyl]acetate
Catalog ID
STK709576
SMILES CCOC(=O)CSC1=NC(=C(C2(C1C(=O)N)CCCCC2)C#N)N
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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 C16H22N4O3S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O3S/c1-2-23-11(21)9-24-15-12(14(19)22)16(6-4-3-5-7-16)10(8-17)13(18)20-15/h12H,2-7,9,18H2,1H3,(H2,19,22)InChIKey
WYOPTJMEBDUJQS-UHFFFAOYSA-NSynonyms
ethyl((4amino1carbamoyl5cyano3azaspiro(55)undeca24dien2yl)sulfanyl)acetate
ETHYL2((10AMINO7CARBAMOYL11CYANO9AZASPIRO(55)UNDECA810DIEN8YL)SULFANYL)ACETATE
ethyl2((4amino1carbamoyl5cyano3azaspiro(55)undeca24dien2yl)sulfanyl)acetate
InChI=1SC16H22N4O3Sc122311(21)9241512(14(19)22)16(6435716)10(817)13(18)2015h12H27918H21H3(H21922)
MFCD02932264
ZINC000019848495
ZINC000019848496
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