Vitas-M small molecule compound
3-ethyl-2-[(Z)-{(5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl]-4,5-diphenyl-1,3-thiazol-3-ium
Catalog ID
STK367930
SMILES CC[n+]1c(/C=c/2\s/c(=C\C=c/3\sc(c(n3CC)c3ccccc3)c3ccccc3)/c(=O)n2CC)sc(c1c1ccccc1)c1ccccc1
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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 C42H38N3OS3 MW 696.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H38N3OS3/c1-4-43-35(48-40(32-23-15-9-16-24-32)38(43)30-19-11-7-12-20-30)28-27-34-42(46)45(6-3)37(47-34)29-36-44(5-2)39(31-21-13-8-14-22-31)41(49-36)33-25-17-10-18-26-33/h7-29H,4-6H2,1-3H3/q+1/b34-27-,35-28+InChIKey
DBBRLXSEDBPAKQ-ZYXDWKDWSA-NSynonyms
(5Z)3ethyl5((2E)2(3ethyl45diphenyl13thiazol2ylidene)ethylidene)2((3ethyl45diphenyl13thiazol2ylidene)methyl)13thiazol3ium4one
(5Z)3ETHYL5((2E)2(3ETHYL45DIPHENYL13THIAZOL2YLIDENE)ETHYLIDENE)2((Z)(3ETHYL45DIPHENYL13THIAZOL2YLIDENE)METHYL)13THIAZOL3IUM4ONE
3ethyl2((Z)((5Z)3ethyl5((2E)2(3ethyl45diphenyl13thiazol2(3H)ylidene)ethylidene)4oxo13thiazolidin2ylidene)methyl)45diphenyl13thiazol3ium
CC(n+)1c(C=c2sc(=CC=c3sc(c(n3CC)c3ccccc3)c3ccccc3)c(=O)n2CC)sc(c1c1ccccc1)c1ccccc1
CCN1C(=CC=C2C(=O)(N+)(=C(S2)C=C3N(C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CC)CC)SC(=C1C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC42H38N3OS3c144335(4840(3223159162432)38(43)3019117122030)28273442(46)45(63)37(4734)293644(52)39(3121138142231)41(4936)33251710182633h729H46H213H3q+1b34273528+
MFCD01003578
ZINC000097962850
ZINC97962850
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