Vitas-M small molecule compound
2-amino-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683451
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)Cl)C2=C(C1c1cc(OC)ccc1OC)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)12-21-25(22(36)13-29)24(19-11-18(37-3)9-10-23(19)38-4)20(14-31)26(32)35(21)27-33-34-28(40-27)39-15-16-5-7-17(30)8-6-16/h5-11,24H,12-13,15,32H2,1-4H3InChIKey
FHBBGLWZSGFONE-UHFFFAOYSA-NSynonyms
2amino1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(25dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(25DIMETHOXYPHENYL)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)122125(22(36)1329)24(191118(373)91023(19)384)20(1431)26(32)35(21)27333428(4027)3915165717(30)8616h51124H12131532H214H3
MFCD05257876
ZINC000098006087
ZINC000098006088
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