Vitas-M small molecule compound
N-tert-butyl-2-{[5-(3-chloro-4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985752
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)NC(C)(C)C)nc2c(c1=O)cn[nH]2
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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 C18H20ClN5O3S MW 421.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN5O3S/c1-18(2,3)22-14(25)9-28-17-21-15-11(8-20-23-15)16(26)24(17)10-5-6-13(27-4)12(19)7-10/h5-8H,9H2,1-4H3,(H,20,23)(H,22,25)InChIKey
YCJDYDKEPOSBES-UHFFFAOYSA-NSynonyms
CC(C)(C)NC(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC(=C(C=C3)OC)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)NC(C)(C)C)nc2c(c1=O)cn(nH)2
InChI=1SC18H20ClN5O3Sc118(23)2214(25)92817211511(8202315)16(26)24(17)105613(274)12(19)710h58H9H214H3(H2023)(H2225)
MFCD18182710
Ntertbutyl2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
Ntertbutyl2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
ZINC000051316622
ZINC51316622
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