Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK701657
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)CC1CCCO1
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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 C23H20N2O7S2 MW 500.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O7S2/c1-30-19-10-14(11-20-21(26)24(23(33)34-20)13-17-6-3-9-31-17)7-8-18(19)32-22(27)15-4-2-5-16(12-15)25(28)29/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3/b20-11-InChIKey
AHXRZZAMWIGREZ-JAIQZWGSSA-NSynonyms
374100-09-1(2METHOXY4((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
(Z)2methoxy4((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)phenyl3nitrobenzoate
2methoxy4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
374100091
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3CCCO3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H20N2O7S2c130191014(112021(26)24(23(33)3420)13176393117)7818(19)3222(27)1542516(1215)25(28)29h24578101217H36913H21H3b2011
MFCD01952945
ZINC000001835131
ZINC000013774497
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