Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683444
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccccc1Cl
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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 C27H23ClN6O3S2 MW 579.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN6O3S2/c1-27(2)11-20-23(21(35)12-27)22(15-7-9-17(10-8-15)34(36)37)18(13-29)24(30)33(20)25-31-32-26(39-25)38-14-16-5-3-4-6-19(16)28/h3-10,22H,11-12,14,30H2,1-2H3InChIKey
BISFDBCMIZXMEW-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)77dimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)77DIMETHYL4(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H23ClN6O3S2c127(2)112023(21(35)1227)22(157917(10815)34(36)37)18(1329)24(30)33(20)25313226(3925)381416534619(16)28h31022H11121430H212H3
MFCD05257869
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccccc1Cl
ZINC000098006073
ZINC000098006074
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