Vitas-M small molecule compound
3-({2-chloro-4-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK079989
SMILES OC(=O)c1cccc(c1)COc1ccc(cc1Cl)/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 C20H15ClN2O5S MW 430.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O5S/c1-23-18(25)14(17(24)22-20(23)29)8-11-5-6-16(15(21)9-11)28-10-12-3-2-4-13(7-12)19(26)27/h2-9H,10H2,1H3,(H,26,27)(H,22,24,29)/b14-8+InChIKey
WXRUKFONCIATKX-RIYZIHGNSA-NSynonyms
3((2chloro4((E)(1methyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
3((2CHLORO4((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Cl)C(=O)NC1=S
InChI=1SC20H15ClN2O5Sc12318(25)14(17(24)2220(23)29)8115616(15(21)911)28101232413(712)19(26)27h29H10H21H3(H2627)(H222429)b148+
MFCD04575586
OC(=O)c1cccc(c1)COc1ccc(cc1Cl)C=C1C(=O)NC(=S)N(C1=O)C
STK079989
ZINC000009259357
ZINC9259357
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