Vitas-M small molecule compound
5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189979
SMILES CCCCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)NC1=O
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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/c1-4-5-6-15-7-9-17(10-8-15)24-13(2)11-16(14(24)3)12-18-19(25)22-21(27)23-20(18)26/h7-12H,4-6H2,1-3H3,(H2,22,23,25,26,27)InChIKey
BJDCCYORFAUXRP-UHFFFAOYSA-NSynonyms
5((1(4BUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4BUTYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)NC3=O)C
InChI=1SC21H23N3O2Sc1456157917(10815)2413(2)1116(14(24)3)121819(25)2221(27)2320(18)26h712H46H213H3(H22223252627)
MFCD02611703
ZINC000002814304
ZINC02814304
ZINC2814304
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