Vitas-M small molecule compound
5-[({2-[(1,3-dioxo-1H,3H-benzo[de]isochromen-6-yl)sulfanyl]phenyl}amino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL295002
SMILES S=C1NC(=O)C(=CNc2ccccc2Sc2ccc3c4c2cccc4C(=O)OC3=O)C(=O)N1
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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 C23H13N3O5S2 MW 475.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13N3O5S2/c27-19-14(20(28)26-23(32)25-19)10-24-15-6-1-2-7-17(15)33-16-9-8-13-18-11(16)4-3-5-12(18)21(29)31-22(13)30/h1-10,24H,(H2,25,26,27,28,32)InChIKey
DTRZNUAOIXBLCS-UHFFFAOYSA-NSynonyms
5(((2((13dioxo1H3Hbenzo(de)isochromen6yl)sulfanyl)phenyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
C1=CC=C(C(=C1)NC=C2C(=O)NC(=S)NC2=O)SC3=C4C=CC=C5C4=C(C=C3)C(=O)OC5=O
InChI=1SC23H13N3O5S2c271914(20(28)2623(32)2519)102415612717(15)331698131811(16)43512(18)21(29)3122(13)30h11024H(H22526272832)
MFCD28032861
ZINC000095925659
ZINC95925659
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