Vitas-M small molecule compound
2-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754369
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(c(c1)OC)OC)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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-27(2)13-20-25(21(31)14-27)24(16-6-11-22(33-4)23(12-16)34-5)19(15-28)26(29)30(20)17-7-9-18(32-3)10-8-17/h6-12,24H,13-14,29H2,1-5H3InChIKey
SDZXZFVUTSMJIZ-UHFFFAOYSA-NSynonyms
2amino4(34dimethoxyphenyl)1(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(34DIMETHOXYPHENYL)1(4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
2AZANYL4(34DIMETHOXYPHENYL)1(4METHOXYPHENYL)77DIMETHYL5OXIDANYLIDENE68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC27H29N3O4c127(2)132025(21(31)1427)24(1661122(334)23(1216)345)19(1528)26(29)30(20)177918(323)10817h61224H131429H215H3
MFCD00816105
ZINC000000783428
ZINC000000783429
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