Vitas-M small molecule compound
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(2-hydroxyethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL041061
SMILES OCCN/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
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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 C15H21N3O3S MW 323.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N3O3S/c19-9-7-16-10-12-13(20)17-15(22)18(14(12)21)8-6-11-4-2-1-3-5-11/h4,10,16,19H,1-3,5-9H2,(H,17,20,22)/b12-10-InChIKey
QIKNPYPUXAVMKF-BENRWUELSA-NSynonyms
(5Z)1(2(cyclohex1en1yl)ethyl)5(((2hydroxyethyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((2HYDROXYETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1CCC(=CC1)CCN2C(=O)C(=CNCCO)C(=O)NC2=S
InChI=1SC15H21N3O3Sc199716101213(20)1715(22)18(14(12)21)86114213511h4101619H1359H2(H172022)b1210
MFCD05728801
OCCNC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
ZINC000005829797
ZINC05829797
ZINC5829797
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