Vitas-M small molecule compound
2-amino-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683449
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)Cl)C2=C(C1c1cccc(c1OC)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 C29H28ClN5O3S2 MW 594.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN5O3S2/c1-29(2)12-20-24(21(36)13-29)23(18-6-5-7-22(37-3)25(18)38-4)19(14-31)26(32)35(20)27-33-34-28(40-27)39-15-16-8-10-17(30)11-9-16/h5-11,23H,12-13,15,32H2,1-4H3InChIKey
UJTAYFMFKXNNIP-UHFFFAOYSA-NSynonyms
2amino1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIMETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)N)C#N)C5=C(C(=CC=C5)OC)OC)C(=O)C1)C
InChI=1SC29H28ClN5O3S2c129(2)122024(21(36)1329)23(1865722(373)25(18)384)19(1431)26(32)35(20)27333428(4027)39151681017(30)11916h51123H12131532H214H3
MFCD05257874
ZINC000098006083
ZINC000098006084
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