Vitas-M small molecule compound
ethyl 4-{3-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK197678
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
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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 C32H27N3O4S MW 549.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O4S/c1-4-39-31(38)23-15-17-27(18-16-23)33-21(2)19-24(22(33)3)20-28-29(36)34(25-11-7-5-8-12-25)32(40)35(30(28)37)26-13-9-6-10-14-26/h5-20H,4H2,1-3H3InChIKey
DOPGRRDVYWWXLP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
ETHYL4(3((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
ETHYL4(3((46DIOXO13DIPHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
InChI=1SC32H27N3O4Sc143931(38)23151727(181623)3321(2)1924(22(33)3)202829(36)34(25117581225)32(40)35(30(28)37)261396101426h520H4H213H3
MFCD01611391
ZINC000006089599
ZINC6089599
Check stock
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Check stock on Vitas-MAvailable files
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