Vitas-M small molecule compound
(5E)-5-[(azepan-1-ylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL038368
SMILES O=C1N=C(S)N(C(=O)/C/1=C/NN1CCCCCC1)c1ccccc1
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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 C17H20N4O2S MW 344.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O2S/c22-15-14(12-18-20-10-6-1-2-7-11-20)16(23)21(17(24)19-15)13-8-4-3-5-9-13/h3-5,8-9,12,18H,1-2,6-7,10-11H2,(H,19,22,24)/b14-12+InChIKey
XMOUETDSFIOWGG-WYMLVPIESA-NSynonyms
(5E)5((AZEPAN1YLAMINO)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((azepan1ylamino)methylidene)1phenyl2sulfanylpyrimidine46(1H5H)dione
C1CCCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3
InChI=1SC17H20N4O2Sc221514(1218201061271120)16(23)21(17(24)1915)138435913h35891218H12671011H2(H192224)b1412+
MFCD04073097
O=C1N=C(S)N(C(=O)C1=CNN1CCCCCC1)c1ccccc1
ZINC000006927524
ZINC6927524
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