Vitas-M small molecule compound

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

Catalog ID
STK813522
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccc(cc1)OC)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 C30H26N4O5S2 MW 586.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O5S2/c1-3-39-26-14-11-21(17-25(26)34(36)37)28-22(19-33(31-28)23-7-5-4-6-8-23)18-27-29(35)32(30(40)41-27)16-15-20-9-12-24(38-2)13-10-20/h4-14,17-19H,3,15-16H2,1-2H3/b27-18-
InChIKey
OTAODRFRYNXKES-IMRQLAEWSA-N
Synonyms

(5Z)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(4methoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2(4METHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(4ETHOXY3NITROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4METHOXYPHENETHYL)2THIOXOTHIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(cc1)OC)c1ccccc1
InChI=1SC30H26N4O5S2c133926141121(1725(26)34(36)37)2822(1933(3128)237546823)182729(35)32(30(40)4127)16152091224(382)131020h4141719H31516H212H3b2718
MFCD04441624
ZINC000100871526
ZINC100871526

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Available files

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