Vitas-M small molecule compound
ethyl (4-bromo-2-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK190175
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(Br)ccc2OCC(=O)OCC)/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 C18H17BrN2O5S MW 453.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2O5S/c1-3-7-21-17(24)13(16(23)20-18(21)27)9-11-8-12(19)5-6-14(11)26-10-15(22)25-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,20,23,27)/b13-9+InChIKey
MXXPQCQEMVWWIG-UKTHLTGXSA-NSynonyms
C=CCN1C(=S)NC(=O)C(=Cc2cc(Br)ccc2OCC(=O)OCC)C1=O
CCOC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=O)NC(=S)N(C2=O)CC=C
ETHYL(4BROMO2((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ethyl2(4bromo2((E)(46dioxo1prop2enyl2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetate
InChI=1SC18H17BrN2O5Sc1372117(24)13(16(23)2018(21)27)911812(19)5614(11)261015(22)2542h35689H14710H22H3(H202327)b139+
MFCD04525841
ZINC000009260190
ZINC09260190
ZINC9260190
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