Vitas-M small molecule compound
{amino[1-cyano-2-(4-methylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]oct-1-yl]methylidene}propanedinitrile
Catalog ID
STL434108
SMILES N#CC(=C(C1(C#N)C(C21C(=O)NC(=O)NC2=O)c1ccc(cc1)C)N)C#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 C18H12N6O3 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N6O3/c1-9-2-4-10(5-3-9)12-17(8-21,13(22)11(6-19)7-20)18(12)14(25)23-16(27)24-15(18)26/h2-5,12H,22H2,1H3,(H2,23,24,25,26,27)InChIKey
ROEGQUKFWBLYKD-UHFFFAOYSA-NSynonyms
(amino(1cyano2(4methylphenyl)468trioxo57diazaspiro(25)oct1yl)methylidene)propanedinitrile
2(amino(2cyano1(4methylphenyl)468trioxo57diazaspiro(25)octan2yl)methylidene)propanedinitrile
CC1=CC=C(C=C1)C2C(C23C(=O)NC(=O)NC3=O)(C#N)C(=C(C#N)C#N)N
InChI=1SC18H12N6O3c192410(539)1217(82113(22)11(619)720)18(12)14(25)2316(27)2415(18)26h2512H22H21H3(H22324252627)
MFCD26098469
ZINC000085409170
ZINC000085409179
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