Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK774257
SMILES O=C1CC(C2=C(N1c1nnc(s1)SCc1ccccc1)CC(CC2=O)(C)C)c1ccccc1Cl
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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 C26H24ClN3O2S2 MW 510.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2S2/c1-26(2)13-20-23(21(31)14-26)18(17-10-6-7-11-19(17)27)12-22(32)30(20)24-28-29-25(34-24)33-15-16-8-4-3-5-9-16/h3-11,18H,12-15H2,1-2H3InChIKey
YVVINSGNVKCPBS-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)4(2chlorophenyl)77dimethyl4678tetrahydroquinoline25(1H3H)dione
1(5benzylsulfanyl134thiadiazol2yl)4(2chlorophenyl)77dimethyl3468tetrahydroquinoline25dione
CC1(CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)C5=CC=CC=C5Cl)C(=O)C1)C
InChI=1SC26H24ClN3O2S2c126(2)132023(21(31)1426)18(1710671119(17)27)1222(32)30(20)24282925(3424)3315168435916h31118H1215H212H3
MFCD04060484
ZINC000001444422
ZINC000001444423
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