Vitas-M small molecule compound
5-{[2-({(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl]sulfanyl}-1H,3H-benzo[de]isochromene-1,3-dione
Catalog ID
STK670768
SMILES Clc1cccc(c1)N1N=C(/C(=C/Nc2ccccc2Sc2cc3cccc4c3c(c2)C(=O)OC4=O)/C1=O)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 C29H18ClN3O4S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18ClN3O4S/c1-16-23(27(34)33(32-16)19-8-5-7-18(30)13-19)15-31-24-10-2-3-11-25(24)38-20-12-17-6-4-9-21-26(17)22(14-20)29(36)37-28(21)35/h2-15,31H,1H3/b23-15-InChIKey
PLLMDHIKYVVURE-HAHDFKILSA-NSynonyms
5((2(((Z)(1(3CHLOROPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)PHENYL)SULFANYL)1H3HBENZO(DE)ISOCHROMENE13DIONE
CC1=NN(C(=O)C1=CNC2=CC=CC=C2SC3=CC4=C5C(=C3)C=CC=C5C(=O)OC4=O)C6=CC(=CC=C6)Cl
Clc1cccc(c1)N1N=C(C(=CNc2ccccc2Sc2cc3cccc4c3c(c2)C(=O)OC4=O)C1=O)C
InChI=1SC29H18ClN3O4Sc11623(27(34)33(3216)1985718(30)1319)15312410231125(24)382012176492126(17)22(1420)29(36)3728(21)35h21531H1H3b2315
MFCD00697233
ZINC000100039557
ZINC100039557
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