Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK825700
SMILES CCOc1cccc(c1)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/c1-4-31-20-9-5-7-18(13-20)28-23(30)21(22(29)26-24(28)32)12-17-11-15(2)27(16(17)3)19-8-6-10-25-14-19/h5-14H,4H2,1-3H3,(H,26,29,32)/b21-12-InChIKey
WMZMAWHNCJRGFQ-MTJSOVHGSA-NSynonyms
(5Z)5((25dimethyl1(pyridin3yl)1Hpyrrol3yl)methylidene)1(3ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1PYRIDIN3YLPYRROL3YL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(Z)5((25dimethyl1(pyridin3yl)1Hpyrrol3yl)methylene)1(3ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CN=CC=C4)C)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccnc2)C)C1=O
InChI=1SC24H22N4O3Sc14312095718(1320)2823(30)21(22(29)2624(28)32)12171115(2)27(16(17)3)198610251419h514H4H213H3(H262932)b2112
MFCD02629326
ZINC000009355101
ZINC09355101
ZINC9355101
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