Vitas-M small molecule compound
2-{(E)-[(5Z)-5-{[acetyl(phenyl)amino]methylidene}-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]methyl}-3-ethyl-4,5-diphenyl-1,3-thiazol-3-ium
Catalog ID
STK396268
SMILES C=CCn1/c(=C\c2sc(c([n+]2CC)c2ccccc2)c2ccccc2)/s/c(=C\N(c2ccccc2)C(=O)C)/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 C33H30N3O2S2 MW 564.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N3O2S2/c1-4-21-35-30(39-28(33(35)38)23-36(24(3)37)27-19-13-8-14-20-27)22-29-34(5-2)31(25-15-9-6-10-16-25)32(40-29)26-17-11-7-12-18-26/h4,6-20,22-23H,1,5,21H2,2-3H3/q+1/b28-23-InChIKey
FIMIQNBDYUQOQN-NFFVHWSESA-NSynonyms
2((E)((5Z)5((acetyl(phenyl)amino)methylidene)4oxo3(prop2en1yl)13thiazolidin2ylidene)methyl)3ethyl45diphenyl13thiazol3ium
C=CCn1c(=Cc2sc(c((n+)2CC)c2ccccc2)c2ccccc2)sc(=CN(c2ccccc2)C(=O)C)c1=O
CCN1C(=CC2=(N+)(C(=O)C(=CN(C3=CC=CC=C3)C(=O)C)S2)CC=C)SC(=C1C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC33H30N3O2S2c14213530(3928(33(35)38)2336(24(3)37)2719138142027)222934(52)31(251596101625)32(4029)2617117121826h46202223H1521H223H3q+1b2823
MFCD11853602
N((Z)(2((3ethyl45diphenyl13thiazol2ylidene)methyl)4oxo3prop2enyl13thiazol3ium5ylidene)methyl)Nphenylacetamide
N((Z)(2((Z)(3ETHYL45DIPHENYL13THIAZOL2YLIDENE)METHYL)4OXO3PROP2ENYL13THIAZOL3IUM5YLIDENE)METHYL)NPHENYLACETAMIDE
ZINC000003143065
ZINC3143065
Check stock
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Check stock on Vitas-MAvailable files
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