Vitas-M small molecule compound

ethyl 5-fluoro-3-{[2-(thiomorpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK536679
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCSCC1)C)cc(cc2)F

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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 C18H22FN3O3S MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22FN3O3S/c1-3-25-18(24)16-15(13-10-12(19)4-5-14(13)20-16)21-17(23)11(2)22-6-8-26-9-7-22/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,21,23)
InChIKey
TURYQZSRWRYTPV-UHFFFAOYSA-N
Synonyms

CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1CCSCC1)C)cc(cc2)F
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCSCC3
ETHYL5FLUORO3(((2R)2(THIOMORPHOLIN4YL)PROPANOYL)AMINO)1HINDOLE2CARBOXYLATE
ethyl5fluoro3((2(thiomorpholin4yl)propanoyl)amino)1Hindole2carboxylate
ETHYL5FLUORO3(2THIOMORPHOLIN4YLPROPANOYLAMINO)1HINDOLE2CARBOXYLATE
ethyl5fluoro3(2thiomorpholinopropanamido)1Hindole2carboxylate
InChI=1SC18H22FN3O3Sc132518(24)1615(131012(19)4514(13)2016)2117(23)11(2)2268269722h45101120H369H212H3(H2123)
MFCD02986600
ZINC000002293309
ZINC000002293310

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Available files

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