Vitas-M small molecule compound
2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Catalog ID
STK600038
SMILES NC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)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 C21H26ClN7O3 MW 459.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN7O3/c1-13-4-5-14(22)10-15(13)28-8-6-27(7-9-28)12-17-24-19-18(29(17)11-16(23)30)20(31)26(3)21(32)25(19)2/h4-5,10H,6-9,11-12H2,1-3H3,(H2,23,30)InChIKey
AAOSWJNPGQBPCM-UHFFFAOYSA-NSynonyms
893946-33-32(8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetamide
2(8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetamide
2(8((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL26DIOXOPURIN7YL)ACETAMIDE
2(8((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)ACETAMIDE
893946333
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC(=O)N)C(=O)N(C(=O)N4C)C
InChI=1SC21H26ClN7O3c1134514(22)1015(13)288627(7928)1217241918(29(17)1116(23)30)20(31)26(3)21(32)25(19)2h4510H691112H213H3(H22330)
MFCD06594308
ZINC000057129021
ZINC57129021
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