Vitas-M small molecule compound
[(5Z)-5-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK150456
SMILES CCOc1cc(ccc1Oc1nc(Cl)ncc1F)/C=C/1\SC(=S)N(C1=O)CC(=O)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 C18H13ClFN3O5S2 MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN3O5S2/c1-2-27-12-5-9(6-13-16(26)23(8-14(24)25)18(29)30-13)3-4-11(12)28-15-10(20)7-21-17(19)22-15/h3-7H,2,8H2,1H3,(H,24,25)/b13-6-InChIKey
IFCMBLFGXXLKGP-MLPAPPSSSA-NSynonyms
((5Z)5(4((2CHLORO5FLUOROPYRIMIDIN4YL)OXY)3ETHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
2((5Z)5((4(2CHLORO5FLUOROPYRIMIDIN4YL)OXY3ETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC3=NC(=NC=C3F)Cl
CCOc1cc(ccc1Oc1nc(Cl)ncc1F)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC18H13ClFN3O5S2c12271259(61316(26)23(814(24)25)18(29)3013)3411(12)281510(20)72117(19)2215h37H28H21H3(H2425)b136
MFCD07435709
ZINC000009720494
ZINC9720494
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