Vitas-M small molecule compound

(5E)-1-(butan-2-yl)-2-sulfanyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione

Catalog ID
STL056783
SMILES CCC(N1C(=NC(=O)/C(=C\Nc2cccc(c2)C(F)(F)F)/C1=O)S)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 C16H16F3N3O2S MW 371.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N3O2S/c1-3-9(2)22-14(24)12(13(23)21-15(22)25)8-20-11-6-4-5-10(7-11)16(17,18)19/h4-9,20H,3H2,1-2H3,(H,21,23,25)/b12-8+
InChIKey
WZJUDUYVANMNHB-XYOKQWHBSA-N
Synonyms

(5E)1(butan2yl)2sulfanyl5(((3(trifluoromethyl)phenyl)amino)methylidene)pyrimidine46(1H5H)dione
(5E)1butan2yl2sulfanylidene5((3(trifluoromethyl)anilino)methylidene)13diazinane46dione
1SECBUTYL2THIOXO5(1(3TRIFLUOROMETHYLPHENYLAMINO)METH(E)YLIDENE)DIHYDROPYRIMIDINE46DIONE
CCC(C)N1C(=O)C(=CNC2=CC=CC(=C2)C(F)(F)F)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNc2cccc(c2)C(F)(F)F)C1=O)S)C
InChI=1SC16H16F3N3O2Sc139(2)2214(24)12(13(23)2115(22)25)8201164510(711)16(1718)19h4920H3H212H3(H212325)b128+
MFCD05730414
ZINC000009349851
ZINC000009460894

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Available files

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