Vitas-M small molecule compound

ethyl 8,8-dimethyl-5-(morpholin-4-yl)-1-[(3-oxo-3-phenylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate

Catalog ID
STK567804
SMILES CCOC(=O)c1sc2c(c1NC(=S)CC(=O)c1ccccc1)c1CC(C)(C)OCc1c(n2)N1CCOCC1

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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 C28H31N3O5S2 MW 553.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S2/c1-4-35-27(33)24-23(29-21(37)14-20(32)17-8-6-5-7-9-17)22-18-15-28(2,3)36-16-19(18)25(30-26(22)38-24)31-10-12-34-13-11-31/h5-9H,4,10-16H2,1-3H3,(H,29,37)
InChIKey
KNIHHLLOECSGKA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)(C)C)NC(=S)CC(=O)C5=CC=CC=C5
ethyl88dimethyl5(morpholin4yl)1((3oxo3phenylpropanethioyl)amino)89dihydro6Hpyrano(43d)thieno(23b)pyridine2carboxylate
ethyl88dimethyl5morpholino1(3oxo3phenylpropanethioamido)89dihydro6Hpyrano(43d)thieno(23b)pyridine2carboxylate
InChI=1SC28H31N3O5S2c143527(33)2423(2921(37)1420(32)178657917)22181528(23)361619(18)25(3026(22)3824)31101234131131h59H41016H213H3(H2937)
MFCD04155804
ZINC000102549352
ZINC102549352

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Available files

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