Vitas-M small molecule compound
(5E)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK598717
SMILES COCCn1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-13-5-7-17(8-6-13)24-20(26)18(19(25)22-21(24)28)12-16-11-14(2)23(15(16)3)9-10-27-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25,28)/b18-12+InChIKey
CHOSKRBPZYPNAV-LDADJPATSA-NSynonyms
371211-93-7(5E)5((1(2methoxyethyl)25dimethyl1Hpyrrol3yl)methylidene)1(4methylphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1(2METHOXYETHYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5((1(2METHOXYETHYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1(4METHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)CCOC)C)C(=O)NC2=S
COCCn1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C)S
InChI=1SC21H23N3O3Sc1135717(8613)2420(26)18(19(25)2221(24)28)12161114(2)23(15(16)3)910274h581112H910H214H3(H222528)b1812+
MFCD07208732
ZINC000009013360
ZINC9013360
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