Vitas-M small molecule compound
4-[(2-chloro-4-{(Z)-[4-oxo-3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL378306
SMILES S=C1S/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)/C(=O)N1Cc1cccnc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H17ClN2O4S2 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O4S2/c25-19-10-16(5-8-20(19)31-14-15-3-6-18(7-4-15)23(29)30)11-21-22(28)27(24(32)33-21)13-17-2-1-9-26-12-17/h1-12H,13-14H2,(H,29,30)/b21-11-InChIKey
XWZOBDSFMYAPSD-NHDPSOOVSA-NSynonyms
4((2CHLORO4((Z)(4OXO3(PYRIDIN1IUM3YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOATE
4((2CHLORO4((Z)(4OXO3(PYRIDIN3YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2chloro4((Z)(4oxo3(pyridin3ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzoicacid
C1=CC(=C(NH+)=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)(O))Cl)SC2=S
InChI=1SC24H17ClN2O4S2c25191016(5820(19)3114153618(7415)23(29)30)112122(28)27(24(32)3321)1317219261217h112H1314H2(H2930)b2111
MFCD03705452
S=C1SC(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)C(=O)N1Cc1cccnc1
ZINC000006456778
ZINC6456778
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