Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-(3-chlorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK563475
SMILES Clc1cccc(c1)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccccc2)/C1=O)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 C26H18ClN3O2S MW 471.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O2S/c27-19-9-6-10-20(14-19)30-25(32)22(24(31)28-26(30)33)13-18-16-29(15-17-7-2-1-3-8-17)23-12-5-4-11-21(18)23/h1-14,16H,15H2,(H,28,31,33)/b22-13+InChIKey
NZNGOCCODWWFRG-LPYMAVHISA-NSynonyms
(5E)5((1benzyl1Hindol3yl)methylidene)1(3chlorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYLINDOL3YL)METHYLIDENE)1(3CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)N(C4=O)C5=CC(=CC=C5)Cl
Clc1cccc(c1)N1C(=NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C1=O)S
InChI=1SC26H18ClN3O2Sc2719961020(1419)3025(32)22(24(31)2826(30)33)13181629(15177213817)2312541121(18)23h11416H15H2(H283133)b2213+
MFCD03809835
ZINC000002282077
ZINC2282077
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