Vitas-M small molecule compound
methyl 4-(3-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK191796
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-5-18-6-10-22(11-7-18)30-25(32)23(24(31)28-27(30)35)15-20-14-16(2)29(17(20)3)21-12-8-19(9-13-21)26(33)34-4/h6-15H,5H2,1-4H3,(H,28,31,35)/b23-15+InChIKey
STFBUSVLPOMWNS-HZHRSRAPSA-NSynonyms
(E)methyl4(3((1(4ethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)OC)C)C1=O
InChI=1SC27H25N3O4Sc151861022(11718)3025(32)23(24(31)2827(30)35)15201416(2)29(17(20)3)2112819(91321)26(33)344h615H5H214H3(H283135)b2315+
METHYL4(3((E)(1(4ETHYLPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL4(3((E)(1(4ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL4(3((E)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD02047375
ZINC8741414
Check stock
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Check stock on Vitas-MAvailable files
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