Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-[(1-propyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK568544
SMILES CCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)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 C22H18ClN3O2S MW 423.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2S/c1-2-11-25-13-14(17-5-3-4-6-19(17)25)12-18-20(27)24-22(29)26(21(18)28)16-9-7-15(23)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,24,27,29)/b18-12+InChIKey
NSPQVZRXLPDSOU-LDADJPATSA-NSynonyms
714286-29-0(5E)1(4chlorophenyl)5((1propyl1Hindol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(4CHLOROPHENYL)5((1PROPYLINDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
714286290
CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
CCCn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)S
InChI=1SC22H18ClN3O2Sc1211251314(17534619(17)25)121820(27)2422(29)26(21(18)28)169715(23)81016h3101213H211H21H3(H242729)b1812+
MFCD05726491
ZINC000013512520
ZINC13512520
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