Vitas-M small molecule compound
methyl {[8-(4-chlorophenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}acetate
Catalog ID
STK639683
SMILES COC(=O)CSc1nc2n(ncc2c2=NCCCn12)c1ccc(cc1)Cl
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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 C17H16ClN5O2S MW 389.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN5O2S/c1-25-14(24)10-26-17-21-16-13(15-19-7-2-8-22(15)17)9-20-23(16)12-5-3-11(18)4-6-12/h3-6,9H,2,7-8,10H2,1H3InChIKey
SKKDFZRVHKBSLT-UHFFFAOYSA-NSynonyms
1010895-35-81010895358
COC(=O)CSC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C4=NCCCN41
InChI=1SC17H16ClN5O2Sc12514(24)102617211613(151972822(15)17)92023(16)125311(18)4612h369H27810H21H3
methyl((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)acetate
methyl2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)acetate
MFCD12201118
ZINC000012389390
ZINC12389390
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