Vitas-M small molecule compound
5-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188134
SMILES S=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2c(C)cccc2C)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-12-8-7-9-13(2)18(12)24-14(3)10-16(15(24)4)11-17-19(25)22(5)21(27)23(6)20(17)26/h7-11H,1-6H3InChIKey
CIWQQFQOSCSOKF-UHFFFAOYSA-NSynonyms
5((1(26DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C
InChI=1SC21H23N3O2Sc11287913(2)18(12)2414(3)1016(15(24)4)111719(25)22(5)21(27)23(6)20(17)26h711H16H3
MFCD02779762
ZINC000004711423
ZINC04711423
ZINC4711423
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