Vitas-M small molecule compound
2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Catalog ID
STL332560
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C2(C(=C(N1)N)C#N)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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-27-15-7-5-14(6-8-15)18(26)13-28-20-17(12-23)21(9-3-2-4-10-21)16(11-22)19(24)25-20/h5-8,25H,2-4,9-10,13,24H2,1H3InChIKey
WNTPCRPNQJFXIC-UHFFFAOYSA-NSynonyms
313379-47-42amino4((2(4methoxyphenyl)2oxoethyl)sulfanyl)3azaspiro(55)undeca14diene15dicarbonitrile
2amino4((2(4methoxyphenyl)2oxoethyl)thio)3azaspiro(55)undeca14diene15dicarbonitrile
2amino4(2(4methoxyphenyl)2oxoethyl)sulfanyl3azaspiro(55)undeca14diene15dicarbonitrile
313379474
8AMINO10(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL9AZASPIRO(55)UNDECA710DIENE711DICARBONITRILE
COC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C#N
InChI=1SC21H22N4O2Sc127157514(6815)18(26)13282017(1223)21(93241021)16(1122)19(24)2520h5825H249101324H21H3
MFCD01243060
ZINC000004043061
ZINC04043061
ZINC4043061
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