Vitas-M small molecule compound
methyl 4-(3-{(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STL372581
SMILES COCCN1C(=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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-13-11-16(12-18-19(26)23-22(31)24(20(18)27)9-10-29-3)14(2)25(13)17-7-5-15(6-8-17)21(28)30-4/h5-8,11-12H,9-10H2,1-4H3,(H,23,26,31)/b18-12+InChIKey
DFHKROBRIVZLLN-LDADJPATSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)CCOC
COCCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)OC)C)C1=O
InChI=1SC22H23N3O5Sc1131116(121819(26)2322(31)24(20(18)27)910293)14(2)25(13)177515(6817)21(28)304h581112H910H214H3(H232631)b1812+
methyl4(3((E)(1(2methoxyethyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoate
methyl4(3((E)(1(2methoxyethyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
MFCD03924871
ZINC000098086706
ZINC98086706
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