Vitas-M small molecule compound
3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3,5-dinitrobenzoate
Catalog ID
STL364995
SMILES S=C1S/C(=C\c2cccc(c2)OC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/C(=O)N1Cc1ccccc1
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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 C24H15N3O7S2 MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15N3O7S2/c28-22-21(36-24(35)25(22)14-15-5-2-1-3-6-15)10-16-7-4-8-20(9-16)34-23(29)17-11-18(26(30)31)13-19(12-17)27(32)33/h1-13H,14H2/b21-10-InChIKey
BOXXMBFFCGQWAB-FBHDLOMBSA-NSynonyms
(3((Z)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)35dinitrobenzoate
3((4OXO3BENZYL2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL35DINITROBENZOATE
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl35dinitrobenzoate
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O))SC2=S
InChI=1SC24H15N3O7S2c282221(3624(35)25(22)14155213615)101674820(916)3423(29)171118(26(30)31)1319(1217)27(32)33h113H14H2b2110
MFCD01590456
S=C1SC(=Cc2cccc(c2)OC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))C(=O)N1Cc1ccccc1
ZINC000100475376
ZINC100475376
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