Vitas-M small molecule compound
methyl 2-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK037273
SMILES COC(=O)c1ccccc1n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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/c1-11-9-13(10-15-17(24)21-20(28)22(3)18(15)25)12(2)23(11)16-8-6-5-7-14(16)19(26)27-4/h5-10H,1-4H3,(H,21,24,28)/b15-10+InChIKey
XRNLZYUWZZSUTM-XNTDXEJSSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)C
COC(=O)c1ccccc1n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC20H19N3O4Sc111913(101517(24)2120(28)22(3)18(15)25)12(2)23(11)16865714(16)19(26)274h510H14H3(H212428)b1510+
METHYL2(25DIMETHYL3((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL2(25DIMETHYL3((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD03226770
STK037273
ZINC000004608152
ZINC04608152
ZINC4608152
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