Vitas-M small molecule compound
2-[4-(2-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779476
SMILES N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccccc1F
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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 C28H29FN2O2S MW 476.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN2O2S/c1-28(2)14-22-26(23(32)15-28)19(17-9-7-8-11-21(17)29)13-25(33)31(22)27-20(16-30)18-10-5-3-4-6-12-24(18)34-27/h7-9,11,19H,3-6,10,12-15H2,1-2H3InChIKey
SVONWSPKCQNXQW-UHFFFAOYSA-NSynonyms
2(4(2fluorophenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(2fluorophenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCCC4)C#N)C5=CC=CC=C5F)C(=O)C1)C
InChI=1SC28H29FN2O2Sc128(2)142226(23(32)1528)19(179781121(17)29)1325(33)31(22)2720(1630)181053461224(18)3427h791119H36101215H212H3
MFCD05858594
ZINC000012402391
ZINC000012402392
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