Vitas-M small molecule compound
13-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STK598461
SMILES COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(o2)c2nc3c(s2)cccc3)C2=C1CC(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 C32H30N2O4S MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O4S/c1-32(2)16-23-30(24(35)17-32)20(25-9-10-26(38-25)31-33-21-7-5-6-8-29(21)39-31)14-22-19-15-28(37-4)27(36-3)13-18(19)11-12-34(22)23/h5-10,13-15,20H,11-12,16-17H2,1-4H3InChIKey
AEYAWHUYRHACBM-UHFFFAOYSA-NSynonyms
898918-06-413(5(13benzothiazol2yl)furan2yl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(5(13benzothiazol2yl)furan2yl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
13(5(benzo(d)thiazol2yl)furan2yl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
898918064
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC=C(O5)C6=NC7=CC=CC=C7S6)C(=O)C1)C
InChI=1SC32H30N2O4Sc132(2)162330(24(35)1732)20(2591026(3825)313321756829(21)3931)1422191528(374)27(363)1318(19)111234(22)23h510131520H11121617H214H3
MFCD07640006
ZINC000101380607
ZINC000101380610
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