Vitas-M small molecule compound
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK846772
SMILES SC1=NC(=O)/C(=C/c2ccc[nH]2)/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 C17H19N3O2S MW 329.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O2S/c21-15-14(11-13-7-4-9-18-13)16(22)20(17(23)19-15)10-8-12-5-2-1-3-6-12/h4-5,7,9,11,18H,1-3,6,8,10H2,(H,19,21,23)/b14-11-InChIKey
NYCYLRVBBAXXJW-KAMYIIQDSA-NSynonyms
(5Z)1(2(cyclohex1en1yl)ethyl)5(1Hpyrrol2ylmethylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5(1HPYRROL2YLMETHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1CCC(=CC1)CCN2C(=O)C(=CC3=CC=CN3)C(=O)NC2=S
InChI=1SC17H19N3O2Sc211514(11137491813)16(22)20(17(23)1915)108125213612h45791118H136810H2(H192123)b1411
MFCD03817996
SC1=NC(=O)C(=Cc2ccc(nH)2)C(=O)N1CCC1=CCCCC1
ZINC000001254639
ZINC1254639
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