Vitas-M small molecule compound

methyl 2-(3-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Catalog ID
STK581305
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2ccccc2C(=O)OC)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 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-KGENOOAVSA-N
Synonyms
444783-85-1
444783851
COc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccccc2C(=O)OC)C)C1=O)S
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((1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
methyl2(3((E)(1(4methoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
METHYL2(3((E)(1(4METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD07198860
ZINC000009010052
ZINC9010052

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Available files

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