Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK571965
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCCN2Cc1ccccc1)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 C27H23N3O2S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O2S/c31-25-23(26(32)30(27(33)28-25)22-11-5-2-6-12-22)17-20-13-14-24-21(16-20)10-7-15-29(24)18-19-8-3-1-4-9-19/h1-6,8-9,11-14,16-17H,7,10,15,18H2,(H,28,31,33)/b23-17+InChIKey
SGQYHYFKHBBQPA-HAVVHWLPSA-NSynonyms
575465-87-1(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1phenyl2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
575465871
C1CC2=C(C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)N(C1)CC5=CC=CC=C5
InChI=1SC27H23N3O2Sc312523(26(32)30(27(33)2825)22115261222)172013142421(1620)1071529(24)18198314919h168911141617H7101518H2(H283133)b2317+
MFCD07204279
O=C1N=C(S)N(C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1)c1ccccc1
ZINC000009087896
ZINC9087896
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