Vitas-M small molecule compound

(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187979
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2cccnc2)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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-4-31-20-9-7-18(8-10-20)28-23(30)21(22(29)26-24(28)32)13-17-12-15(2)27(16(17)3)19-6-5-11-25-14-19/h5-14H,4H2,1-3H3,(H,26,29,32)/b21-13-
InChIKey
YILSLLRZHBFLIY-BKUYFWCQSA-N
Synonyms

(5Z)5((25DIMETHYL1(PYRIDIN3YL)1HPYRROL3YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5Z)5((25DIMETHYL1(PYRIDIN3YL)1HPYRROL3YL)METHYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((25DIMETHYL1PYRIDIN3YLPYRROL3YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(Z)5((25dimethyl1(pyridin3yl)1Hpyrrol3yl)methylene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CN=CC=C4)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccnc2)C)C1=O
InChI=1SC24H22N4O3Sc1431209718(81020)2823(30)21(22(29)2624(28)32)13171215(2)27(16(17)3)196511251419h514H4H213H3(H262932)b2113
MFCD02629338
ZINC09355054
ZINC9355054

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Available files

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