Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757362
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CCC2)c1sc2c(c1C#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 C28H30N4OS2 MW 502.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4OS2/c1-28(2,3)23-13-12-22(34-23)24-18(15-30)26(31)32(19-9-7-10-20(33)25(19)24)27-17(14-29)16-8-5-4-6-11-21(16)35-27/h12-13,24H,4-11,31H2,1-3H3InChIKey
JAOLWVODKCRDMS-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC(C)(C)C1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N
InChI=1SC28H30N4OS2c128(23)23131222(3423)2418(1530)26(31)32(19971020(33)25(19)24)2717(1429)1685461121(16)3527h121324H41131H213H3
MFCD01240698
ZINC000002188873
ZINC000002188874
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