Vitas-M small molecule compound
5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187304
SMILES S=C1N(C)C(=O)C(=Cc2cc(n(c2C)Cc2ccccc2)C)C(=O)N1C
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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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-13-10-16(14(2)23(13)12-15-8-6-5-7-9-15)11-17-18(24)21(3)20(26)22(4)19(17)25/h5-11H,12H2,1-4H3InChIKey
UKNRHWCAJUPVQW-UHFFFAOYSA-NSynonyms
5((1BENZYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1BENZYL25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((25DIMETHYL1BENZYLPYRROL3YL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC20H21N3O2Sc1131016(14(2)23(13)12158657915)111718(24)21(3)20(26)22(4)19(17)25h511H12H214H3
MFCD03835271
ZINC000004545134
ZINC04545134
ZINC4545134
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