Vitas-M small molecule compound
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(2,5-dimethoxyphenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL055897
SMILES COc1ccc(cc1N/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S)OC
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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-27-15-8-9-18(28-2)17(12-15)22-13-16-19(25)23-21(29)24(20(16)26)11-10-14-6-4-3-5-7-14/h6,8-9,12-13,22H,3-5,7,10-11H2,1-2H3,(H,23,25,29)/b16-13-InChIKey
SQGHMBKKPADZJW-SSZFMOIBSA-NSynonyms
(5Z)1(2(cyclohex1en1yl)ethyl)5(((25dimethoxyphenyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((25DIMETHOXYANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC(=C(C=C1)OC)NC=C2C(=O)NC(=S)N(C2=O)CCC3=CCCCC3
COc1ccc(cc1NC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S)OC
InChI=1SC21H25N3O4Sc127158918(282)17(1215)22131619(25)2321(29)24(20(16)26)1110146435714h689121322H3571011H212H3(H232529)b1613
MFCD05731668
ZINC000006294815
ZINC06294815
ZINC6294815
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