Vitas-M small molecule compound

(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(2-methylpropyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL055908
SMILES CC(CN/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)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 C17H25N3O2S MW 335.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3O2S/c1-12(2)10-18-11-14-15(21)19-17(23)20(16(14)22)9-8-13-6-4-3-5-7-13/h6,11-12,18H,3-5,7-10H2,1-2H3,(H,19,21,23)/b14-11+
InChIKey
HDARWDRWTSKMIZ-SDNWHVSQSA-N
Synonyms

(5E)1(2(cyclohex1en1yl)ethyl)5(((2methylpropyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((2METHYLPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC(C)CNC=C1C(=O)NC(=S)N(C1=O)CCC2=CCCCC2
CC(CNC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S)C
InChI=1SC17H25N3O2Sc112(2)1018111415(21)1917(23)20(16(14)22)98136435713h6111218H35710H212H3(H192123)b1411+
MFCD05727886
ZINC000006364234
ZINC06364234
ZINC6364234

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Available files

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