Vitas-M small molecule compound
1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK683435
SMILES O=C1CC(c2cccc(c2)[N+](=O)[O-])C2=C(N1c1nnc(s1)SCc1ccccc1Cl)CC(CC2=O)(C)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 C26H23ClN4O4S2 MW 555.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O4S2/c1-26(2)12-20-23(21(32)13-26)18(15-7-5-8-17(10-15)31(34)35)11-22(33)30(20)24-28-29-25(37-24)36-14-16-6-3-4-9-19(16)27/h3-10,18H,11-14H2,1-2H3InChIKey
VDARTNPSKWQPBI-UHFFFAOYSA-NSynonyms
1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)77dimethyl4(3nitrophenyl)4678tetrahydroquinoline25(1H3H)dione
1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)77dimethyl4(3nitrophenyl)3468tetrahydroquinoline25dione
CC1(CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC26H23ClN4O4S2c126(2)122023(21(32)1326)18(1575817(1015)31(34)35)1122(33)30(20)24282925(3724)361416634919(16)27h31018H1114H212H3
MFCD05257833
O=C1CC(c2cccc(c2)(N+)(=O)(O))C2=C(N1c1nnc(s1)SCc1ccccc1Cl)CC(CC2=O)(C)C
ZINC000098006055
ZINC000098006056
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