Vitas-M small molecule compound
(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK564745
SMILES SC1=NC(=O)/C(=C/c2nc3c([nH]2)cccc3)/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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c25-18-14(12-17-21-15-8-4-5-9-16(15)22-17)19(26)24(20(27)23-18)11-10-13-6-2-1-3-7-13/h4-6,8-9,12H,1-3,7,10-11H2,(H,21,22)(H,23,25,27)/b14-12-InChIKey
ISHBKOHSXYEZGJ-OWBHPGMISA-NSynonyms
(5Z)5(1Hbenzimidazol2ylmethylidene)1(2(cyclohex1en1yl)ethyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5(1HBENZIMIDAZOL2YLMETHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)2SULFANYLIDENE13DIAZINANE46DIONE
C1CCC(=CC1)CCN2C(=O)C(=CC3=NC4=CC=CC=C4N3)C(=O)NC2=S
InChI=1SC20H20N4O2Sc251814(12172115845916(15)2217)19(26)24(20(27)2318)1110136213713h468912H1371011H2(H2122)(H232527)b1412
MFCD03802161
SC1=NC(=O)C(=Cc2nc3c((nH)2)cccc3)C(=O)N1CCC1=CCCCC1
ZINC000013774148
ZINC13774148
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