Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(4-methylbenzyl)sulfanyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK061969
SMILES N#CC1=C(SCc2ccc(cc2)C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
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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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-17-6-8-18(9-7-17)16-34-27-20(15-29)25(19-10-11-23(32-4)24(12-19)33-5)26-21(30-27)13-28(2,3)14-22(26)31/h6-12,25,30H,13-14,16H2,1-5H3InChIKey
UZFQKKQAYFLHBM-UHFFFAOYSA-NSynonyms
4(34dimethoxyphenyl)77dimethyl2((4methylbenzyl)sulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(34dimethoxyphenyl)77dimethyl2((4methylphenyl)methylsulfanyl)5oxo1468tetrahydroquinoline3carbonitrile
CC1=CC=C(C=C1)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC)C#N
InChI=1SC28H30N2O3Sc1176818(9717)16342720(1529)25(19101123(324)24(1219)335)2621(3027)1328(23)1422(26)31h6122530H131416H215H3
MFCD06257757
N#CC1=C(SCc2ccc(cc2)C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
STK061969
ZINC000013300209
ZINC000013300212
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