Vitas-M small molecule compound
2-{4-[4-(benzyloxy)-3-methoxyphenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK685950
SMILES COc1cc(ccc1OCc1ccccc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCC2
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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 C32H30N2O4S MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O4S/c1-37-28-16-21(14-15-27(28)38-19-20-8-3-2-4-9-20)23-17-30(36)34(25-11-7-12-26(35)31(23)25)32-24(18-33)22-10-5-6-13-29(22)39-32/h2-4,8-9,14-16,23H,5-7,10-13,17,19H2,1H3InChIKey
PILHMTDKIAFBJY-UHFFFAOYSA-NSynonyms
2(4(3methoxy4phenylmethoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(4(benzyloxy)3methoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C=CC(=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)OCC6=CC=CC=C6
InChI=1SC32H30N2O4Sc137281621(141527(28)3819208324920)231730(36)34(251171226(35)31(23)25)3224(1833)2210561329(22)3932h2489141623H5710131719H21H3
MFCD06013975
ZINC000001432333
ZINC000001432334
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