Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK595165
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)S
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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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-4-32-21-11-9-20(10-12-21)29-24(31)22(23(30)27-25(29)33)14-17-13-15(2)28(16(17)3)19-7-5-18(26)6-8-19/h5-14H,4H2,1-3H3,(H,27,30,33)/b22-14-InChIKey
JUIKIBUXGHPOLX-HMAPJEAMSA-NSynonyms
363163-55-7(5Z)5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)1(4ethoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
363163557
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Cl)C)C1=O)S
InChI=1SC25H22ClN3O3Sc14322111920(101221)2924(31)22(23(30)2725(29)33)14171315(2)28(16(17)3)197518(26)6819h514H4H213H3(H273033)b2214
MFCD07211742
ZINC000009425275
ZINC09425275
ZINC9425275
Check stock
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Check stock on Vitas-MAvailable files
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