Vitas-M small molecule compound
methyl 2-(3-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK196981
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccccc2C(=O)OC)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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-15-13-17(16(2)28(15)22-8-6-5-7-20(22)25(32)34-4)14-21-23(30)27-26(35)29(24(21)31)18-9-11-19(33-3)12-10-18/h5-14H,1-4H3,(H,27,30,35)/b21-14-InChIKey
CVERZSUEQAHSHD-STZFKDTASA-NSynonyms
(E)methyl2(3((1(4methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2C(=O)OC)C)C1=O
InChI=1SC26H23N3O5Sc1151317(16(2)28(15)22865720(22)25(32)344)142123(30)2726(35)29(24(21)31)1891119(333)121018h514H14H3(H273035)b2114
METHYL2(3((Z)(1(4METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL2(3((Z)(1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD06666495
ZINC000012363661
ZINC12363661
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.