Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Catalog ID
STK826887
SMILES N#CC1=C(SCC(=O)Nc2ccccc2CC)NC2=C(C1c1ccc(cc1)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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-5-18-8-6-7-9-22(18)31-25(34)17-36-28-21(16-30)26(19-10-12-20(35-4)13-11-19)27-23(32-28)14-29(2,3)15-24(27)33/h6-13,26,32H,5,14-15,17H2,1-4H3,(H,31,34)InChIKey
DHHZUGRREODERP-UHFFFAOYSA-NSynonyms
799783-27-02((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(2ethylphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(2ethylphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(2ethylphenyl)acetamide
799783270
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C#N
InChI=1SC29H31N3O3Sc1518867922(18)3125(34)17362821(1630)26(19101220(354)131119)2723(3228)1429(23)1524(27)33h6132632H5141517H214H3(H3134)
MFCD03674671
ZINC000013189443
ZINC000013189446
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