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4-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-tert-butylbenzoate

Catalog ID
STK701601
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

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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 C33H31N3O5S2 MW 613.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O5S2/c1-20-28(30(38)36(34(20)5)24-10-8-7-9-11-24)35-29(37)27(43-32(35)42)19-21-12-17-25(26(18-21)40-6)41-31(39)22-13-15-23(16-14-22)33(2,3)4/h7-19H,1-6H3/b27-19-
InChIKey
ZUPGHGKNWSSFJH-DIBXZPPDSA-N
Synonyms

(4((Z)(3(15dimethyl3oxo2phenylpyrazol4yl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)4tertbutylbenzoate
(E)4((3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl4(tertbutyl)benzoate
4((Z)(3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4tertbutylbenzoate
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)C(C)(C)C)OC)SC3=S
COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC33H31N3O5S2c12028(30(38)36(34(20)5)24108791124)3529(37)27(4332(35)42)1921121725(26(1821)406)4131(39)22131523(161422)33(23)4h719H16H3b2719
MFCD03461550
ZINC000097946060
ZINC97946060

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Available files

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