Vitas-M small molecule compound

1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Catalog ID
STK774600
SMILES CCSc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=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 C21H22N4O4S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S2/c1-4-30-20-23-22-19(31-20)24-15-10-21(2,3)11-16(26)18(15)14(9-17(24)27)12-6-5-7-13(8-12)25(28)29/h5-8,14H,4,9-11H2,1-3H3
InChIKey
DVQQSNVYQSTRMZ-UHFFFAOYSA-N
Synonyms

1(5(ethylsulfanyl)134thiadiazol2yl)77dimethyl4(3nitrophenyl)4678tetrahydroquinoline25(1H3H)dione
1(5ethylsulfanyl134thiadiazol2yl)77dimethyl4(3nitrophenyl)3468tetrahydroquinoline25dione
CCSC1=NN=C(S1)N2C(=O)CC(C3=C2CC(CC3=O)(C)C)C4=CC(=CC=C4)(N+)(=O)(O)
CCSc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H22N4O4S2c143020232219(3120)24151021(23)1116(26)18(15)14(917(24)27)1265713(812)25(28)29h5814H4911H213H3
MFCD04061033
ZINC000003629304
ZINC000003629306

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Available files

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