Vitas-M small molecule compound
butyl 2-chloro-5-{5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL431847
SMILES CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NC(=S)NC1=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 C20H17ClN2O5S MW 432.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5S/c1-2-3-8-27-19(26)13-9-11(4-6-15(13)21)16-7-5-12(28-16)10-14-17(24)22-20(29)23-18(14)25/h4-7,9-10H,2-3,8H2,1H3,(H2,22,23,24,25,29)InChIKey
DKXQPRSAZALAHM-UHFFFAOYSA-NSynonyms
BUTYL2CHLORO5(5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
butyl2chloro5(5((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
BUTYL5(5((46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)(2FURYL))2CHLOROBENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)Cl
InChI=1SC20H17ClN2O5Sc12382719(26)13911(4615(13)21)167512(2816)101417(24)2220(29)2318(14)25h47910H238H21H3(H22223242529)
MFCD01158712
ZINC000008874192
ZINC08874192
ZINC8874192
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