Vitas-M small molecule compound
4-(2-chlorophenyl)-7,7-dimethyl-1-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK774599
SMILES C=CCSc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)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 C22H22ClN3O2S2 MW 460.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O2S2/c1-4-9-29-21-25-24-20(30-21)26-16-11-22(2,3)12-17(27)19(16)14(10-18(26)28)13-7-5-6-8-15(13)23/h4-8,14H,1,9-12H2,2-3H3InChIKey
ZNIHHLVEVFAPRD-UHFFFAOYSA-NSynonyms
4(2chlorophenyl)77dimethyl1(5(prop2en1ylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
4(2chlorophenyl)77dimethyl1(5prop2enylsulfanyl134thiadiazol2yl)3468tetrahydroquinoline25dione
CC1(CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC=C)C4=CC=CC=C4Cl)C(=O)C1)C
InChI=1SC22H22ClN3O2S2c1492921252420(3021)26161122(23)1217(27)19(16)14(1018(26)28)13756815(13)23h4814H1912H223H3
MFCD04061032
ZINC000003629299
ZINC000003629301
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