Vitas-M small molecule compound

1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

Catalog ID
STL180771
SMILES Cc1ccc(s1)c1nc(nc(c1)C(F)(F)F)N1CCCCCC1

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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 C16H18F3N3S MW 341.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3S/c1-11-6-7-13(23-11)12-10-14(16(17,18)19)21-15(20-12)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3
InChIKey
XUHAHKFSIZZRJC-UHFFFAOYSA-N
Synonyms
1011393-44-4
1(4(5methylthiophen2yl)6(trifluoromethyl)pyrimidin2yl)azepane
1011393444
CC1=CC=C(S1)C2=CC(=NC(=N2)N3CCCCCC3)C(F)(F)F
InChI=1SC16H18F3N3Sc1116713(2311)121014(16(1718)19)2115(2012)2284235922h6710H2589H21H3
MFCD09475246
ZINC000036618636
ZINC36618636

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Available files

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