Vitas-M small molecule compound
4-phenyl-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK774439
SMILES CC(Sc1nnc(s1)N1C(=O)CC(C2=C1CCCC2=O)c1ccccc1)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 C20H21N3O2S2 MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S2/c1-12(2)26-20-22-21-19(27-20)23-15-9-6-10-16(24)18(15)14(11-17(23)25)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3InChIKey
YGMCTIUIJGEXTE-UHFFFAOYSA-NSynonyms
4phenyl1(5(propan2ylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
4phenyl1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydro3Hquinoline25dione
CC(C)SC1=NN=C(S1)N2C3=C(C(CC2=O)C4=CC=CC=C4)C(=O)CCC3
InChI=1SC20H21N3O2S2c112(2)2620222119(2720)2315961016(24)18(15)14(1117(23)25)137435813h35781214H6911H212H3
MFCD04060781
ZINC000001445787
ZINC000001445788
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