Vitas-M small molecule compound
3-[(5Z)-5-{2-[(2-chlorobenzyl)oxy]-5-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK594562
SMILES OC(=O)CCN1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=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 C20H15ClN2O6S2 MW 478.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O6S2/c21-15-4-2-1-3-12(15)11-29-16-6-5-14(23(27)28)9-13(16)10-17-19(26)22(20(30)31-17)8-7-18(24)25/h1-6,9-10H,7-8,11H2,(H,24,25)/b17-10-InChIKey
RLFYTKHCVIGYPF-YVLHZVERSA-NSynonyms
613218-87-4(Z)3(5(2((2chlorobenzyl)oxy)5nitrobenzylidene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((2((2CHLOROPHENYL)METHOXY)5NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3((5Z)5(2((2chlorobenzyl)oxy)5nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
613218874
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl
InChI=1SC20H15ClN2O6S2c2115421312(15)1129166514(23(27)28)913(16)101719(26)22(20(30)3117)8718(24)25h16910H7811H2(H2425)b1710
MFCD03676247
OC(=O)CCN1C(=S)SC(=Cc2cc(ccc2OCc2ccccc2Cl)(N+)(=O)(O))C1=O
ZINC000001889484
ZINC1889484
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