Vitas-M small molecule compound
4-[(2-chloro-6-methoxy-4-{(Z)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK157835
SMILES COC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(c(c2)OC)OCc2ccc(cc2)C(=O)O)/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 C22H18ClNO8S MW 491.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClNO8S/c1-30-16-8-13(9-17-20(26)24(22(29)33-17)10-18(25)31-2)7-15(23)19(16)32-11-12-3-5-14(6-4-12)21(27)28/h3-9H,10-11H2,1-2H3,(H,27,28)/b17-9-InChIKey
AGFOUNCCDNEZOU-MFOYZWKCSA-NSynonyms
4((2CHLORO6METHOXY4((Z)(3(2METHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC(=O)CN1C(=O)SC(=Cc2cc(Cl)c(c(c2)OC)OCc2ccc(cc2)C(=O)O)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC)Cl)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC22H18ClNO8Sc13016813(91720(26)24(22(29)3317)1018(25)312)715(23)19(16)3211123514(6412)21(27)28h39H1011H212H3(H2728)b179
MFCD06663100
ZINC000002814567
ZINC2814567
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