Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL093714
SMILES CCCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2c(c1=O)[nH]c(c2)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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-3-4-7-25-20(27)19-15(8-13(2)23-19)24-21(25)30-11-18(26)22-10-14-5-6-16-17(9-14)29-12-28-16/h5-6,8-9,23H,3-4,7,10-12H2,1-2H3,(H,22,26)InChIKey
AFSNVWFDHAZJKK-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4
CCCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2c(c1=O)(nH)c(c2)C
InChI=1SC21H24N4O4Sc13472520(27)1915(813(2)2319)2421(25)301118(26)221014561617(914)29122816h568923H3471012H212H3(H2226)
MFCD18787848
N(13benzodioxol5ylmethyl)2((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5ylmethyl)2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067238514
ZINC67238514
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