Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823006
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)[N+](=O)[O-])OCC)c2ccccc2)/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 C27H28N4O4S2 MW 536.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S2/c1-3-5-6-10-15-29-26(32)24(37-27(29)36)17-20-18-30(21-11-8-7-9-12-21)28-25(20)19-13-14-23(35-4-2)22(16-19)31(33)34/h7-9,11-14,16-18H,3-6,10,15H2,1-2H3/b24-17-InChIKey
DUZXHEVEXPGOLV-ULJHMMPZSA-NSynonyms
(5Z)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)(N+)(=O)(O))OCC)c2ccccc2)C1=O
InChI=1SC27H28N4O4S2c135610152926(32)24(3727(29)36)17201830(21118791221)2825(20)19131423(3542)22(1619)31(33)34h7911141618H361015H212H3b2417
MFCD03463568
ZINC000101335177
ZINC101335177
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