Vitas-M small molecule compound
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-methylbenzoate
Catalog ID
STK706403
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)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 C30H25N3O5S2 MW 571.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5S2/c1-18-10-13-21(14-11-18)29(36)38-23-15-12-20(16-24(23)37-4)17-25-27(34)32(30(39)40-25)26-19(2)31(3)33(28(26)35)22-8-6-5-7-9-22/h5-17H,1-4H3/b25-17-InChIKey
KAUYZKDCKQJLCS-UQQQWYQISA-NSynonyms
(4((Z)(3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)4METHYLBENZOATE
(E)4((3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl4methylbenzoate
4((Z)(3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC30H25N3O5S2c118101321(141118)29(36)3823151220(1624(23)374)172527(34)32(30(39)4025)2619(2)31(3)33(28(26)35)228657922h517H14H3b2517
MFCD03212082
ZINC000097947083
ZINC97947083
Check stock
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Check stock on Vitas-MAvailable files
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