Vitas-M small molecule compound
(5Z)-5-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK024444
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)C2CCCC2)C)/C1=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 C24H27N3O3S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O3S/c1-4-30-20-11-9-19(10-12-20)27-23(29)21(22(28)25-24(27)31)14-17-13-15(2)26(16(17)3)18-7-5-6-8-18/h9-14,18H,4-8H2,1-3H3,(H,25,28,31)/b21-14-InChIKey
LWRSDBFNHULMRR-STZFKDTASA-NSynonyms
(5Z)5((1CYCLOPENTYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4CCCC4)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CCCC2)C)C1=O
InChI=1SC24H27N3O3Sc14302011919(101220)2723(29)21(22(28)2524(27)31)14171315(2)26(16(17)3)18756818h91418H48H213H3(H252831)b2114
MFCD03226530
STK024444
ZINC000009113099
ZINC09113099
ZINC9113099
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