Vitas-M small molecule compound
(5Z)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL040069
SMILES COc1ccc(c(c1)N1C(=NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C1=O)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 C28H23N3O4S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4S/c1-34-20-12-13-25(35-2)24(15-20)31-27(33)22(26(32)29-28(31)36)14-19-17-30(16-18-8-4-3-5-9-18)23-11-7-6-10-21(19)23/h3-15,17H,16H2,1-2H3,(H,29,32,36)/b22-14-InChIKey
HCMBWEPPQOBCTC-HMAPJEAMSA-NSynonyms
373377-73-2(5Z)5((1benzyl1Hindol3yl)methylidene)1(25dimethoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1BENZYLINDOL3YL)METHYLIDENE)1(25DIMETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
373377732
COC1=CC(=C(C=C1)OC)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)NC2=S
COc1ccc(c(c1)N1C(=NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C1=O)S)OC
InChI=1SC28H23N3O4Sc13420121325(352)24(1520)3127(33)22(26(32)2928(31)36)14191730(16188435918)2311761021(19)23h31517H16H212H3(H293236)b2214
MFCD03797834
ZINC000009327369
ZINC09327369
ZINC9327369
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