Vitas-M small molecule compound
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK563402
SMILES SC1=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/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 C22H23N3O2S MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O2S/c1-24-14-16(17-9-5-6-10-19(17)24)13-18-20(26)23-22(28)25(21(18)27)12-11-15-7-3-2-4-8-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,23,26,28)/b18-13-InChIKey
ZQUFHMKGEVUVRS-AQTBWJFISA-NSynonyms
387383-44-0(5Z)1(2(cyclohex1en1yl)ethyl)5((1methyl1Hindol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((1METHYLINDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)CCC4=CCCCC4
InChI=1SC22H23N3O2Sc1241416(179561019(17)24)131820(26)2322(28)25(21(18)27)1211157324815h579101314H2481112H21H3(H232628)b1813
MFCD03804976
SC1=NC(=O)C(=Cc2cn(c3c2cccc3)C)C(=O)N1CCC1=CCCCC1
ZINC000001244331
ZINC01244331
ZINC1244331
ZINC13766322
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