Vitas-M small molecule compound

(5Z)-5-{[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK813750
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Cl)OC)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 C27H28ClN3O2S2 MW 526.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O2S2/c1-3-4-5-6-10-15-30-26(32)24(35-27(30)34)17-20-18-31(21-11-8-7-9-12-21)29-25(20)19-13-14-23(33-2)22(28)16-19/h7-9,11-14,16-18H,3-6,10,15H2,1-2H3/b24-17-
InChIKey
NHEPJNKSHFRKNB-ULJHMMPZSA-N
Synonyms

(5Z)5((3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(3chloro4methoxyphenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
5((3(3CHLORO4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3HEPTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OC)c2ccccc2)C1=O
InChI=1SC27H28ClN3O2S2c1345610153026(32)24(3527(30)34)17201831(21118791221)2925(20)19131423(332)22(28)1619h7911141618H361015H212H3b2417
MFCD04441749
ZINC000100871745
ZINC100871745

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Available files

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