Vitas-M small molecule compound
2-amino-4-(4-butoxy-3-methoxyphenyl)-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Catalog ID
STK028915
SMILES CCCCOc1ccc(cc1OC)c1c(C#N)c(N)nc(c1C#N)SCC(=O)C12CC3CC(C2)CC(C1)C3
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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 C30H34N4O3S MW 530.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O3S/c1-3-4-7-37-24-6-5-21(11-25(24)36-2)27-22(15-31)28(33)34-29(23(27)16-32)38-17-26(35)30-12-18-8-19(13-30)10-20(9-18)14-30/h5-6,11,18-20H,3-4,7-10,12-14,17H2,1-2H3,(H2,33,34)InChIKey
FJULZZOKYLUYTQ-UHFFFAOYSA-NSynonyms
340817-99-42((2((1s3s)adamantan1yl)2oxoethyl)thio)6amino4(4butoxy3methoxyphenyl)pyridine35dicarbonitrile
2((2(1ADAMANTYL)2OXOETHYL)SULFANYL)6AMINO4(4BUTOXY3METHOXYPHENYL)35PYRIDINEDICARBONITRILE
2(2(1ADAMANTYL)2OXOETHYL)SULFANYL6AMINO4(4BUTOXY3METHOXYPHENYL)PYRIDINE35DICARBONITRILE
2(2ADAMANTANYL2OXOETHYLTHIO)6AMINO4(4BUTOXY3METHOXYPHENYL)PYRIDINE35DICARBONITRILE
2amino4(4butoxy3methoxyphenyl)6((2oxo2(tricyclo(3311~37~)dec1yl)ethyl)sulfanyl)pyridine35dicarbonitrile
340817994
CCCCOC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)N)C#N)OC
CCCCOc1ccc(cc1OC)c1c(C#N)c(N)nc(c1C#N)SCC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC30H34N4O3Sc134737246521(1125(24)362)2722(1531)28(33)3429(23(27)1632)381726(35)301218819(1330)1020(918)1430h56111820H34710121417H212H3(H23334)
MFCD01834072
STK028915
ZINC000018285736
ZINC18285736
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