Vitas-M small molecule compound
(5E)-3-benzyl-5-(4-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL364718
SMILES COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C29H30N6O5S2 MW 606.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N6O5S2/c1-37-23-17-21(18-24-25(36)35(29(41)42-24)19-20-5-3-2-4-6-20)7-8-22(23)40-28-31-26(33-9-13-38-14-10-33)30-27(32-28)34-11-15-39-16-12-34/h2-8,17-18H,9-16,19H2,1H3/b24-18+InChIKey
AHZCHYXQQHUMLW-HKOYGPOVSA-NSynonyms
(5E)3benzyl5((4((46dimorpholin4yl135triazin2yl)oxy)3methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3benzyl5(4((46di(morpholin4yl)135triazin2yl)oxy)3methoxybenzylidene)2thioxo13thiazolidin4one
5((4(46DIMORPHOLIN4YL(135TRIAZIN2YL)OXY)3METHOXYPHENYL)METHYLENE)3BENZYL2THIOXO13THIAZOLIDIN4ONE
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6
COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC29H30N6O5S2c137231721(182425(36)35(29(41)4224)19205324620)7822(23)40283126(3391338141033)3027(3228)34111539161234h281718H91619H21H3b2418+
MFCD08532526
ZINC000100948095
ZINC100948095
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