Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
Catalog ID
STK706377
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)[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/c1-30-19-11-14(12-20-21(26)24(23(33)34-20)13-17-3-2-10-31-17)4-9-18(19)32-22(27)15-5-7-16(8-6-15)25(28)29/h4-9,11-12,17H,2-3,10,13H2,1H3/b20-12-InChIKey
UPLJYZMLRKLEOP-NDENLUEZSA-NSynonyms
(2METHOXY4((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4NITROBENZOATE
(E)2methoxy4((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)phenyl4nitrobenzoate
2methoxy4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3CCCO3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H20N2O7S2c130191114(122021(26)24(23(33)3420)131732103117)4918(19)3222(27)155716(8615)25(28)29h49111217H231013H21H3b2012
MFCD03463289
ZINC000027015503
ZINC000027015510
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