Vitas-M small molecule compound
2-{[8-(3-chloro-4-methylphenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}-N,N-dimethylacetamide
Catalog ID
STK632396
SMILES O=C(N(C)C)CSc1nc2n(ncc2c2=NCCCn12)c1ccc(c(c1)Cl)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 C19H21ClN6OS MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6OS/c1-12-5-6-13(9-15(12)20)26-18-14(10-22-26)17-21-7-4-8-25(17)19(23-18)28-11-16(27)24(2)3/h5-6,9-10H,4,7-8,11H2,1-3H3InChIKey
MHYVRQMRBNDKEY-UHFFFAOYSA-NSynonyms
1010908-10-71010908107
2((8(3chloro4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)NNdimethylacetamide
2((8(3chloro4methylphenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)NNdimethylacetamide
CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NCCCN4C(=N3)SCC(=O)N(C)C)Cl
InChI=1SC19H21ClN6OSc1125613(915(12)20)261814(102226)172174825(17)19(2318)281116(27)24(2)3h56910H47811H213H3
MFCD12199877
ZINC000012322441
ZINC12322441
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