Vitas-M small molecule compound

5-amino-4-(4-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carbonitrile 1,1-dioxide

Catalog ID
STK779608
SMILES N#CC1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc(c(c1)OC)O)S(=O)(=O)CC2

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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 C21H18FN3O4S MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O4S/c1-29-18-10-12(2-7-17(18)26)19-15(11-23)21(24)25(14-5-3-13(22)4-6-14)16-8-9-30(27,28)20(16)19/h2-7,10,19,26H,8-9,24H2,1H3
InChIKey
PPSAGMBHHOWANP-UHFFFAOYSA-N
Synonyms

5AMINO4(4FLUOROPHENYL)7(4HYDROXY3METHOXYPHENYL)11DIOXO37DIHYDRO2HTHIENO(32B)PYRIDINE6CARBONITRILE
5amino4(4fluorophenyl)7(4hydroxy3methoxyphenyl)2347tetrahydrothieno(32b)pyridine6carbonitrile11dioxide
COC1=C(C=CC(=C1)C2C(=C(N(C3=C2S(=O)(=O)CC3)C4=CC=C(C=C4)F)N)C#N)O
InChI=1SC21H18FN3O4Sc129181012(2717(18)26)1915(1123)21(24)25(145313(22)4614)168930(2728)20(16)19h27101926H8924H21H3
MFCD05858737
ZINC000001429890
ZINC000001429891

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Available files

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