Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(3-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK586896
SMILES COc1cccc(c1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C)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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-15-8-10-19(11-9-15)27-16(2)12-18(17(27)3)13-22-23(29)26-25(32)28(24(22)30)20-6-5-7-21(14-20)31-4/h5-14H,1-4H3,(H,26,29,32)/b22-13-InChIKey
IZQPJYVURAGPDS-XKZIYDEJSA-NSynonyms
578721-52-5(5Z)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)1(3methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(3METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
578721525
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)OC)C
COc1cccc(c1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)S
InChI=1SC25H23N3O3Sc11581019(11915)2716(2)1218(17(27)3)132223(29)2625(32)28(24(22)30)2065721(1420)314h514H14H3(H262932)b2213
MFCD07208336
ZINC000009012840
ZINC9012840
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