Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL084435
SMILES CCn1c(SCC(=O)Nc2ccc3c(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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-3-22-17(24)16-12(6-10(2)19-16)21-18(22)27-8-15(23)20-11-4-5-13-14(7-11)26-9-25-13/h4-7,19H,3,8-9H2,1-2H3,(H,20,23)InChIKey
WLSQGZLDPROYNA-UHFFFAOYSA-NSynonyms
CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4
CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)(nH)c(c2)C
InChI=1SC18H18N4O4Sc132217(24)1612(610(2)1916)2118(22)27815(23)2011451314(711)2692513h4719H389H212H3(H2023)
MFCD18203005
N(13benzodioxol5yl)2((3ethyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((3ethyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000057521994
ZINC57521994
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