Vitas-M small molecule compound
5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK104381
SMILES CCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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/c1-6-15-7-9-17(10-8-15)24-13(2)11-16(14(24)3)12-18-19(25)22(4)21(27)23(5)20(18)26/h7-12H,6H2,1-5H3InChIKey
NIRQNFRTJJOLLE-UHFFFAOYSA-NSynonyms
5((1(4ETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4ETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C
InChI=1SC21H23N3O2Sc16157917(10815)2413(2)1116(14(24)3)121819(25)22(4)21(27)23(5)20(18)26h712H6H215H3
MFCD02779408
ZINC000004674723
ZINC04674723
ZINC4674723
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