Vitas-M small molecule compound
2-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,6-dimethyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL084338
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1C)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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-14-12-17-19(22-14)20(28)24(2)21(23-17)30-13-18(27)26-10-8-25(9-11-26)15-4-6-16(29-3)7-5-15/h4-7,12,22H,8-11,13H2,1-3H3InChIKey
JLPUZAFQFZGJMC-UHFFFAOYSA-NSynonyms
2((2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)36dimethyl35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl36dimethyl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1C)C
InChI=1SC21H25N5O3Sc114121719(2214)20(28)24(2)21(2317)301318(27)2610825(91126)154616(293)7515h471222H81113H213H3
MFCD18202908
ZINC000057521581
ZINC57521581
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