Vitas-M small molecule compound
propan-2-yl 5-bromo-2-{5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL378544
SMILES CC(OC(=O)c1cc(Br)ccc1c1ccc(o1)C=C1C(=O)NC(=S)NC1=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 C19H15BrN2O5S MW 463.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN2O5S/c1-9(2)26-18(25)13-7-10(20)3-5-12(13)15-6-4-11(27-15)8-14-16(23)21-19(28)22-17(14)24/h3-9H,1-2H3,(H2,21,22,23,24,28)InChIKey
SRUAPOYEXUQGSA-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O
InChI=1SC19H15BrN2O5Sc19(2)2618(25)13710(20)3512(13)156411(2715)81416(23)2119(28)2217(14)24h39H12H3(H22122232428)
METHYLETHYL2(5((46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)(2FURYL))5BROMOBENZOATE
MFCD03217054
PROPAN2YL5BROMO2(5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
propan2yl5bromo2(5((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
ZINC000001088459
ZINC01088459
ZINC1088459
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