Vitas-M small molecule compound
(5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192828
SMILES CCCCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)C2CCCCC2)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 C27H33N3O2S MW 463.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O2S/c1-4-5-9-20-12-14-23(15-13-20)30-26(32)24(25(31)28-27(30)33)17-21-16-18(2)29(19(21)3)22-10-7-6-8-11-22/h12-17,22H,4-11H2,1-3H3,(H,28,31,33)/b24-17-InChIKey
GCSUYAZIWJHPAJ-ULJHMMPZSA-NSynonyms
(5Z)1(4BUTYLPHENYL)5((1CYCLOHEXYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4BUTYLPHENYL)5((1CYCLOHEXYL25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4CCCCC4)C)C(=O)NC2=S
CCCCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CCCCC2)C)C1=O
InChI=1SC27H33N3O2Sc145920121423(151320)3026(32)24(25(31)2827(30)33)17211618(2)29(19(21)3)22107681122h121722H411H213H3(H283133)b2417
MFCD04568064
ZINC000009259416
ZINC09259416
ZINC9259416
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