Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757830
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2)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 C29H30N4OS2 MW 514.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4OS2/c1-29(2)13-22-26(23(34)14-29)25(17-9-11-18(35-3)12-10-17)21(16-31)27(32)33(22)28-20(15-30)19-7-5-4-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3InChIKey
JDNGSIROQDQLQG-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl4(4methylsulfanylphenyl)5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC=C(C=C5)SC)C(=O)C1)C
InChI=1SC29H30N4OS2c129(2)132226(23(34)1429)25(1791118(353)121017)21(1631)27(32)33(22)2820(1530)197546824(19)3628h91225H48131432H213H3
MFCD01305101
ZINC000002188778
ZINC000002188779
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