Vitas-M small molecule compound

methyl 4-[({[5-(3-chloro-4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK985736
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)Cl)OC

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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 C22H18ClN5O5S MW 499.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O5S/c1-32-17-8-7-14(9-16(17)23)28-20(30)15-10-24-27-19(15)26-22(28)34-11-18(29)25-13-5-3-12(4-6-13)21(31)33-2/h3-10H,11H2,1-2H3,(H,24,27)(H,25,29)
InChIKey
NAXOIGWOPVZSCZ-UHFFFAOYSA-N
Synonyms

COC(=O)c1ccc(cc1)NC(=O)CSc1nc2(nH)ncc2c(=O)n1c1ccc(c(c1)Cl)OC
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC)Cl
InChI=1SC22H18ClN5O5Sc132178714(916(17)23)2820(30)1510242719(15)2622(28)341118(29)25135312(4613)21(31)332h310H11H212H3(H2427)(H2529)
methyl4((((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetyl)amino)benzoate
MFCD18182694
ZINC000051316591
ZINC51316591

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Available files

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