Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL084741
SMILES CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)[nH]cc2c1ccccc1
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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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-2-3-11-29-24(31)23-22(18(13-26-23)16-7-5-4-6-8-16)28-25(29)34-14-21(30)27-17-9-10-19-20(12-17)33-15-32-19/h4-10,12-13,26H,2-3,11,14-15H2,1H3,(H,27,30)InChIKey
ZYHMFACHAOWRPB-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC5=C(C=C4)OCO5
CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)(nH)cc2c1ccccc1
InChI=1SC25H24N4O4Sc123112924(31)2322(18(132623)167546816)2825(29)341421(30)27179101920(1217)33153219h410121326H23111415H21H3(H2730)
MFCD18203272
N(13benzodioxol5yl)2((3butyl4oxo7phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((3butyl4oxo7phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067239916
ZINC67239916
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