Vitas-M small molecule compound
3-ethyl-2-{(Z)-[(5E)-5-[(2Z)-2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]methyl}-4,5-diphenyl-1,3-thiazol-3-ium
Catalog ID
STK396580
SMILES C=CCn1/c(=C/c2sc(c([n+]2CC)c2ccccc2)c2ccccc2)/s/c(=C/C=c\2/ccn(c3c2cccc3)CC)/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 C37H34N3OS2 MW 600.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N3OS2/c1-4-24-40-34(42-32(37(40)41)22-21-27-23-25-38(5-2)31-20-14-13-19-30(27)31)26-33-39(6-3)35(28-15-9-7-10-16-28)36(43-33)29-17-11-8-12-18-29/h4,7-23,25-26H,1,5-6,24H2,2-3H3/q+1/b27-21-,32-22+InChIKey
BAFXUZNYSUCUTI-VZKGTFHRSA-NSynonyms
(5E)2((E)(3ETHYL45DIPHENYL13THIAZOL2YLIDENE)METHYL)5((2Z)2(1ETHYLQUINOLIN4YLIDENE)ETHYLIDENE)3PROP2ENYL13THIAZOL3IUM4ONE
(5E)2((Z)(3ethyl45diphenyl13thiazol2ylidene)methyl)5((2Z)2(1ethylquinolin4ylidene)ethylidene)3prop2enyl13thiazol3ium4one
3ETHYL2((Z)((5E)5((2Z)2(1ETHYLQUINOLIN4(1H)YLIDENE)ETHYLIDENE)4OXO3(PROP2EN1YL)13THIAZOLIDIN2YLIDENE)METHYL)45DIPHENYL13THIAZOL3IUM
C=CCn1c(=Cc2sc(c((n+)2CC)c2ccccc2)c2ccccc2)sc(=CC=c2ccn(c3c2cccc3)CC)c1=O
CCN1C=CC(=CC=C2C(=O)(N+)(=C(S2)C=C3N(C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CC)CC=C)C6=CC=CC=C61
InChI=1SC37H34N3OS2c14244034(4232(37(40)41)222127232538(52)312014131930(27)31)263339(63)35(281597101628)36(4333)2917118121829h47232526H15624H223H3q+1b27213222+
MFCD01841079
ZINC000059222208
ZINC59222208
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