Vitas-M small molecule compound
3-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-benzothiophene-2-carboxamide
Catalog ID
STK737305
SMILES COc1cc(Cc2nccc3c2cc(OC)c(c3)OC)c(cc1OC)NC(=O)c1sc2c(c1Cl)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 C29H25ClN2O5S MW 549.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O5S/c1-34-22-12-16-9-10-31-21(19(16)14-24(22)36-3)11-17-13-23(35-2)25(37-4)15-20(17)32-29(33)28-27(30)18-7-5-6-8-26(18)38-28/h5-10,12-15H,11H2,1-4H3,(H,32,33)InChIKey
DWSXDUQHEXSTSC-UHFFFAOYSA-NSynonyms
728027-16-53chloroN(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)1benzothiophene2carboxamide
3chloroN(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)benzo(b)thiophene2carboxamide
728027165
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl)OC)OC)OC
InChI=1SC29H25ClN2O5Sc1342212169103121(19(16)1424(22)363)11171323(352)25(374)1520(17)3229(33)2827(30)18756826(18)3828h5101215H11H214H3(H3233)
MFCD03660083
ZINC000002362753
ZINC2362753
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