Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Catalog ID
STL076669
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2ccsc2c(=O)n1CCc1cccs1
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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 C21H17N3O4S3 MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S3/c25-18(22-13-3-4-16-17(10-13)28-12-27-16)11-31-21-23-15-6-9-30-19(15)20(26)24(21)7-5-14-2-1-8-29-14/h1-4,6,8-10H,5,7,11-12H2,(H,22,25)InChIKey
HTPUFCNDDLYDKK-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=O)N3CCC5=CC=CS5)SC=C4
InChI=1SC21H17N3O4S3c2518(2213341617(1013)28122716)1131212315693019(15)20(26)24(21)75142182914h146810H571112H2(H2225)
MFCD18197901
N(13benzodioxol5yl)2((4oxo3(2(thiophen2yl)ethyl)34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2(4oxo3(2thiophen2ylethyl)thieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000067217556
ZINC67217556
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