Vitas-M small molecule compound
N-(3-bromobenzyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL099014
SMILES CC(CCn1c(SCC(=O)NCc2cccc(c2)Br)nc2c(c1=O)[nH]c(c2)C)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 C21H25BrN4O2S MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O2S/c1-13(2)7-8-26-20(28)19-17(9-14(3)24-19)25-21(26)29-12-18(27)23-11-15-5-4-6-16(22)10-15/h4-6,9-10,13,24H,7-8,11-12H2,1-3H3,(H,23,27)InChIKey
IMPJJARAWIKWBR-UHFFFAOYSA-NSynonyms
CC(CCn1c(SCC(=O)NCc2cccc(c2)Br)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC(=CC=C3)Br)CCC(C)C
InChI=1SC21H25BrN4O2Sc113(2)782620(28)1917(914(3)2419)2521(26)291218(27)23111554616(22)1015h469101324H781112H213H3(H2327)
MFCD18790246
N((3bromophenyl)methyl)2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(3bromobenzyl)2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067299613
ZINC67299613
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