Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757815
SMILES N#CC1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2
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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 C30H32N4O4S MW 544.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O4S/c1-30(2)12-20-26(21(35)13-30)25(16-10-22(36-3)27(38-5)23(11-16)37-4)19(15-32)28(33)34(20)29-18(14-31)17-8-6-7-9-24(17)39-29/h10-11,25H,6-9,12-13,33H2,1-5H3InChIKey
RZXBPKUMYOOQJP-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo4(345trimethoxyphenyl)68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C1)C
InChI=1SC30H32N4O4Sc130(2)122026(21(35)1330)25(161022(363)27(385)23(1116)374)19(1532)28(33)34(20)2918(1431)17867924(17)3929h101125H69121333H215H3
MFCD01305073
ZINC000001022978
ZINC000001022979
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