Vitas-M small molecule compound
methyl 3-(3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoate
Catalog ID
STK188251
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2C)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 C23H23N3O4S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S/c1-6-10-25-21(28)18(20(27)24-23(25)31)12-16-11-13(2)26(15(16)4)19-9-7-8-17(14(19)3)22(29)30-5/h6-9,11-12H,1,10H2,2-5H3,(H,24,27,31)/b18-12+InChIKey
WFUPLUJSJVFFFV-LDADJPATSA-NSynonyms
428833-17-4428833174
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2C)C(=O)OC)C)C1=O
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC23H23N3O4Sc16102521(28)18(20(27)2423(25)31)12161113(2)26(15(16)4)1997817(14(19)3)22(29)305h691112H110H225H3(H242731)b1812+
METHYL3(3((1ALLYL46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
METHYL3(3((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
METHYL3(3((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
MFCD02605234
ZINC000000681106
ZINC00681106
ZINC681106
Check stock
See real-time availability and sample size for STK188251 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.