Vitas-M small molecule compound
7,7-dimethyl-4-(3-nitrophenyl)-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK775241
SMILES CC(Sc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-])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 C22H24N4O4S2 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S2/c1-12(2)31-21-24-23-20(32-21)25-16-10-22(3,4)11-17(27)19(16)15(9-18(25)28)13-6-5-7-14(8-13)26(29)30/h5-8,12,15H,9-11H2,1-4H3InChIKey
NDUQRBZCBSXNNX-UHFFFAOYSA-NSynonyms
77dimethyl4(3nitrophenyl)1(5(propan2ylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
77dimethyl4(3nitrophenyl)1(5propan2ylsulfanyl134thiadiazol2yl)3468tetrahydroquinoline25dione
CC(C)SC1=NN=C(S1)N2C(=O)CC(C3=C2CC(CC3=O)(C)C)C4=CC(=CC=C4)(N+)(=O)(O)
CC(Sc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC22H24N4O4S2c112(2)3121242320(3221)25161022(34)1117(27)19(16)15(918(25)28)1365714(813)26(29)30h581215H911H214H3
MFCD05256956
ZINC000012401665
ZINC000012401666
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