Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757836
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-29(2)12-20-26(21(34)13-29)25(16-9-10-22(35-3)23(11-16)36-4)19(15-31)27(32)33(20)28-18(14-30)17-7-5-6-8-24(17)37-28/h9-11,25H,5-8,12-13,32H2,1-4H3InChIKey
KBBFDKHKXLBPKU-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(34dimethoxyphenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C
InChI=1SC29H30N4O3Sc129(2)122026(21(34)1329)25(1691022(353)23(1116)364)19(1531)27(32)33(20)2818(1430)17756824(17)3728h91125H58121332H214H3
MFCD01305107
ZINC000000714778
ZINC000000714779
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