Vitas-M small molecule compound
2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779488
SMILES N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CCCC2=O)c1cc(OC)c(c(c1)OC)OC
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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 C29H32N2O5S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5S/c1-34-23-13-17(14-24(35-2)28(23)36-3)19-15-26(33)31(21-10-8-11-22(32)27(19)21)29-20(16-30)18-9-6-4-5-7-12-25(18)37-29/h13-14,19H,4-12,15H2,1-3H3InChIKey
SROZFCAYWDOCNE-UHFFFAOYSA-NSynonyms
2(25dioxo4(345trimethoxyphenyl)345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(25dioxo4(345trimethoxyphenyl)4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC29H32N2O5Sc134231317(1424(352)28(23)363)191526(33)31(211081122(32)27(19)21)2920(1630)18964571225(18)3729h131419H41215H213H3
MFCD05858606
ZINC000001429727
ZINC000001429728
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