Vitas-M small molecule compound
methyl 3-methyl-4-(5-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK153535
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=C\1/SC(=O)N(C1=O)Cc1cccc(c1)[N+](=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 C24H18N2O7S MW 478.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7S/c1-14-10-16(23(28)32-2)6-8-19(14)20-9-7-18(33-20)12-21-22(27)25(24(29)34-21)13-15-4-3-5-17(11-15)26(30)31/h3-12H,13H2,1-2H3/b21-12+InChIKey
PWJBSRAEBIEYBI-CIAFOILYSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC24H18N2O7Sc1141016(23(28)322)6819(14)209718(3320)122122(27)25(24(29)3421)131543517(1115)26(30)31h312H13H212H3b2112+
methyl3methyl4(5((E)(3((3nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
METHYL3METHYL4(5((E)(3(3NITROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD03231800
ZINC000008384011
ZINC08384011
ZINC8384011
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