Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL044859
SMILES CN1CCN(CC1)N/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 C18H27N5O2S MW 377.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N5O2S/c1-21-9-11-22(12-10-21)19-13-15-16(24)20-18(26)23(17(15)25)8-7-14-5-3-2-4-6-14/h5,13,19H,2-4,6-12H2,1H3,(H,20,24,26)/b15-13+InChIKey
MVSBNVREGMYKCK-FYWRMAATSA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)5(((4methylpiperazin1yl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5(((4METHYLPIPERAZIN1YL)AMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
1(2CYCLOHEX1ENYLETHYL)5(1(4METHYLPIPERAZIN1YLAMINO)METH(E)YLIDENE)2THIOXODIHYDROPYRIMIDINE46DIONE
CN1CCN(CC1)NC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
CN1CCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CCC3=CCCCC3
InChI=1SC18H27N5O2Sc12191122(121021)19131516(24)2018(26)23(17(15)25)87145324614h51319H24612H21H3(H202426)b1513+
MFCD04072825
ZINC000020267453
ZINC20267453
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