Vitas-M small molecule compound
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(4-ethoxyphenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL054768
SMILES CCOc1ccc(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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-2-27-17-10-8-16(9-11-17)22-14-18-19(25)23-21(28)24(20(18)26)13-12-15-6-4-3-5-7-15/h6,8-11,14,22H,2-5,7,12-13H2,1H3,(H,23,25,28)/b18-14-InChIKey
MUIIXGSTUOQNRO-JXAWBTAJSA-NSynonyms
(5Z)1(2(cyclohex1en1yl)ethyl)5(((4ethoxyphenyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((4ETHOXYANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCOC1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)CCC3=CCCCC3
CCOc1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
InChI=1SC21H25N3O3Sc12271710816(91117)22141819(25)2321(28)24(20(18)26)1312156435715h68111422H2571213H21H3(H232528)b1814
MFCD05727523
ZINC000018144657
ZINC18144657
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