Vitas-M small molecule compound
2-[4-(2,3-dimethoxyphenyl)-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
STK779504
SMILES COc1cccc(c1OC)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCCC2
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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 C28H30N2O4S MW 490.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4S/c1-33-23-13-7-10-18(27(23)34-2)19-15-25(32)30(21-11-8-12-22(31)26(19)21)28-20(16-29)17-9-5-3-4-6-14-24(17)35-28/h7,10,13,19H,3-6,8-9,11-12,14-15H2,1-2H3InChIKey
SMFQRDQOYKGCQE-UHFFFAOYSA-NSynonyms
2(4(23dimethoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(23dimethoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
COC1=CC=CC(=C1OC)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC28H30N2O4Sc133231371018(27(23)342)191525(32)30(211181222(31)26(19)21)2820(1629)17953461424(17)3528h7101319H368911121415H212H3
MFCD05858622
ZINC000001429757
ZINC000001429758
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