Vitas-M small molecule compound
N-benzyl-N-(4-bromophenyl)-2-[(3,6-dimethyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL084357
SMILES Brc1ccc(cc1)N(C(=O)CSc1nc2cc([nH]c2c(=O)n1C)C)Cc1ccccc1
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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 C23H21BrN4O2S MW 497.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O2S/c1-15-12-19-21(25-15)22(30)27(2)23(26-19)31-14-20(29)28(13-16-6-4-3-5-7-16)18-10-8-17(24)9-11-18/h3-12,25H,13-14H2,1-2H3InChIKey
PSIXQPBCXUTPDL-UHFFFAOYSA-NSynonyms
Brc1ccc(cc1)N(C(=O)CSc1nc2cc((nH)c2c(=O)n1C)C)Cc1ccccc1
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N(CC3=CC=CC=C3)C4=CC=C(C=C4)Br)C
InChI=1SC23H21BrN4O2Sc115121921(2515)22(30)27(2)23(2619)311420(29)28(13166435716)1810817(24)91118h31225H1314H212H3
MFCD18202927
NbenzylN(4bromophenyl)2((36dimethyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
NbenzylN(4bromophenyl)2((36dimethyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067235825
ZINC67235825
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