Vitas-M small molecule compound
ethyl 3-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-3-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indole-2-carboxylate
Catalog ID
STL438034
SMILES CCOC(=O)c1[nH]c2c(c1/C=C\1/C(=O)N(c3ccccc3)C(=S)N(C1=O)c1ccc(cc1)Br)cccc2
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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 C28H20BrN3O4S MW 574.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O4S/c1-2-36-27(35)24-21(20-10-6-7-11-23(20)30-24)16-22-25(33)31(18-8-4-3-5-9-18)28(37)32(26(22)34)19-14-12-17(29)13-15-19/h3-16,30H,2H2,1H3/b22-16-InChIKey
OGFPFLAZCGEVEJ-JWGURIENSA-NSynonyms
CCOC(=O)c1(nH)c2c(c1C=C1C(=O)N(c3ccccc3)C(=S)N(C1=O)c1ccc(cc1)Br)cccc2
CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5
ethyl3((Z)(1(4bromophenyl)46dioxo3phenyl2sulfanylidene13diazinan5ylidene)methyl)1Hindole2carboxylate
ethyl3((Z)(1(4bromophenyl)46dioxo3phenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
InChI=1SC28H20BrN3O4Sc123627(35)2421(2010671123(20)3024)162225(33)31(188435918)28(37)32(26(22)34)19141217(29)131519h31630H2H21H3b2216
MFCD30712049
ZINC000101390188
ZINC101390188
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