Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK701885
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)[N+](=O)[O-])OCC)c2ccccc2)/C1=O)CC
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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 C29H32N4O4S2 MW 564.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O4S2/c1-4-7-11-20(5-2)18-31-28(34)26(39-29(31)38)17-22-19-32(23-12-9-8-10-13-23)30-27(22)21-14-15-25(37-6-3)24(16-21)33(35)36/h8-10,12-17,19-20H,4-7,11,18H2,1-3H3/b26-17-InChIKey
NXBYVGDWORNZAI-ONUIUJJFSA-NSynonyms
(5Z)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)3(2ethylhexyl)2sulfanylidene13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)(N+)(=O)(O))OCC)c2ccccc2)C1=O)CC
InChI=1SC29H32N4O4S2c1471120(52)183128(34)26(3929(31)38)17221932(231298101323)3027(22)21141525(3763)24(1621)33(35)36h81012171920H471118H213H3b2617
MFCD03461663
ZINC000100834254
ZINC000100834255
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