Vitas-M small molecule compound
5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187444
SMILES S=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-11-7-13(8-15-18(24)21(3)20(28)22(4)19(15)25)12(2)23(11)14-5-6-16-17(9-14)27-10-26-16/h5-9H,10H2,1-4H3InChIKey
URLTYXNPXRFGPR-UHFFFAOYSA-NSynonyms
5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((1(2HBENZO(34D)13DIOXOLEN5YL)25DIMETHYLPYRROL3YL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)N(C(=S)N(C4=O)C)C
InChI=1SC20H19N3O4Sc111713(81518(24)21(3)20(28)22(4)19(15)25)12(2)23(11)14561617(914)27102616h59H10H214H3
MFCD02779419
ZINC000000631978
ZINC00631978
ZINC631978
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