Vitas-M small molecule compound

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

Catalog ID
STL048501
SMILES SC1=NC(=O)/C(=C\Nc2cccc(c2)C(F)(F)F)/C(=O)N1CCC1=CCCCC1

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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 C20H20F3N3O2S MW 423.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O2S/c21-20(22,23)14-7-4-8-15(11-14)24-12-16-17(27)25-19(29)26(18(16)28)10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12,24H,1-3,6,9-10H2,(H,25,27,29)/b16-12+
InChIKey
FWMPVEKTBLLRSL-FOWTUZBSSA-N
Synonyms

(5E)1(2(cyclohex1en1yl)ethyl)2sulfanyl5(((3(trifluoromethyl)phenyl)amino)methylidene)pyrimidine46(1H5H)dione
(5E)1(2(CYCLOHEXEN1YL)ETHYL)2SULFANYLIDENE5((3(TRIFLUOROMETHYL)ANILINO)METHYLIDENE)13DIAZINANE46DIONE
C1CCC(=CC1)CCN2C(=O)C(=CNC3=CC=CC(=C3)C(F)(F)F)C(=O)NC2=S
InChI=1SC20H20F3N3O2Sc2120(2223)1474815(1114)24121617(27)2519(29)26(18(16)28)109135213613h4578111224H136910H2(H252729)b1612+
MFCD05730705
SC1=NC(=O)C(=CNc2cccc(c2)C(F)(F)F)C(=O)N1CCC1=CCCCC1
ZINC000009466109
ZINC000103115617
ZINC09466109
ZINC9466109

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Available files

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