Vitas-M small molecule compound
methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate
Catalog ID
STK523280
SMILES COC(=O)CSC1=C(C#N)C2(C(C(=N)N1)c1scc(n1)c1ccccc1)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 C23H24N4O2S2 MW 452.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S2/c1-29-18(28)14-31-21-16(12-24)23(10-6-3-7-11-23)19(20(25)27-21)22-26-17(13-30-22)15-8-4-2-5-9-15/h2,4-5,8-9,13,19H,3,6-7,10-11,14H2,1H3,(H2,25,27)InChIKey
UCXXGNUFACMINY-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=C(C2(CCCCC2)C(C(=N1)N)C3=NC(=CS3)C4=CC=CC=C4)C#N
InChI=1SC23H24N4O2S2c12918(28)14312116(1224)23(106371123)19(20(25)2721)222617(133022)158425915h245891319H367101114H21H3(H22527)
methyl((1cyano4imino5(4phenyl13thiazol2yl)3azaspiro(55)undec1en2yl)sulfanyl)acetate
methyl2((2amino5cyano1(4phenyl13thiazol2yl)3azaspiro(55)undeca24dien4yl)sulfanyl)acetate
METHYL2((8AMINO11CYANO7(4PHENYL13THIAZOL2YL)9AZASPIRO(55)UNDECA810DIEN10YL)SULFANYL)ACETATE
METHYL2(1CYANO4IMINO5(4PHENYL(13THIAZOL2YL))3AZASPIRO(55)UNDEC1EN2YLTHIO)ACETATE
MFCD02933412
ZINC000008856862
ZINC000008856863
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