Vitas-M small molecule compound
methyl {[8-(3-methylphenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}acetate
Catalog ID
STK646739
SMILES COC(=O)CSc1nc2n(ncc2c2=NCCCn12)c1cccc(c1)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 C18H19N5O2S MW 369.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O2S/c1-12-5-3-6-13(9-12)23-17-14(10-20-23)16-19-7-4-8-22(16)18(21-17)26-11-15(24)25-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3InChIKey
IJNUOSCWPGBOKD-UHFFFAOYSA-NSynonyms
1010884-94-21010884942
CC1=CC(=CC=C1)N2C3=C(C=N2)C4=NCCCN4C(=N3)SCC(=O)OC
InChI=1SC18H19N5O2Sc11253613(912)231714(102023)161974822(16)18(2117)261115(24)252h356910H47811H212H3
methyl((8(3methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)acetate
methyl2((8(mtolyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)acetate
MFCD12199895
ZINC000012322468
ZINC12322468
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