Vitas-M small molecule compound

methyl 5-methyl-3-[(thiomorpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate

Catalog ID
STK529018
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCSCC1)cc(cc2)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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-11-3-4-13-12(9-11)15(16(18-13)17(22)23-2)19-14(21)10-20-5-7-24-8-6-20/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,21)
InChIKey
PFHOLCMZKNBISR-UHFFFAOYSA-N
Synonyms
372172-30-0
372172300
CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCSCC3)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCSCC1)cc(cc2)C
InChI=1SC17H21N3O3Sc111341312(911)15(16(1813)17(22)232)1914(21)102057248620h34918H5810H212H3(H1921)
METHYL5METHYL3((2THIOMORPHOLIN4YLACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5methyl3((thiomorpholin4ylacetyl)amino)1Hindole2carboxylate
methyl5methyl3(2thiomorpholinoacetamido)1Hindole2carboxylate
MFCD01879226
ZINC000004843991
ZINC4843991

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.