Vitas-M small molecule compound
3-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
Catalog ID
STK029387
SMILES CN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2C)C(=O)O)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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-10-8-13(9-15-17(24)21-20(28)22(4)18(15)25)12(3)23(10)16-7-5-6-14(11(16)2)19(26)27/h5-9H,1-4H3,(H,26,27)(H,21,24,28)/b15-9+InChIKey
ORJMIJJVYBEJQQ-OQLLNIDSSA-NSynonyms
486440-00-0(E)3(25dimethyl3((1methyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)2methylbenzoicacid
3(25DIMETHYL3((E)(1METHYL46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)1HPYRROL1YL)2METHYLBENZOICACID
3(25DIMETHYL3((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)2METHYLBENZOICACID
3(25DIMETHYL3((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)2METHYLBENZOICACID
486440000
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C
CN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2C)C(=O)O)C)C1=O
InChI=1SC20H19N3O4Sc110813(91517(24)2120(28)22(4)18(15)25)12(3)23(10)1675614(11(16)2)19(26)27h59H14H3(H2627)(H212428)b159+
MFCD03226786
STK029387
ZINC2246192
Check stock
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Check stock on Vitas-MAvailable files
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