Vitas-M small molecule compound
4-(3-nitrophenyl)-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
STK775236
SMILES C=CCSc1nnc(s1)N1C(=O)CC(C2=C1CCCC2=O)c1cccc(c1)[N+](=O)[O-]
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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 C20H18N4O4S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S2/c1-2-9-29-20-22-21-19(30-20)23-15-7-4-8-16(25)18(15)14(11-17(23)26)12-5-3-6-13(10-12)24(27)28/h2-3,5-6,10,14H,1,4,7-9,11H2InChIKey
HNRGSSPSKXLFDA-UHFFFAOYSA-NSynonyms
4(3nitrophenyl)1(5(prop2en1ylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
4(3nitrophenyl)1(5prop2enylsulfanyl134thiadiazol2yl)4678tetrahydro3Hquinoline25dione
C=CCSC1=NN=C(S1)N2C3=C(C(CC2=O)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)CCC3
C=CCSc1nnc(s1)N1C(=O)CC(C2=C1CCCC2=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H18N4O4S2c1292920222119(3020)231574816(25)18(15)14(1117(23)26)1253613(1012)24(27)28h23561014H147911H2
MFCD05256950
ZINC000012363651
ZINC000012363653
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