Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL294553
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2
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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 C22H21N3O4S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S2/c1-2-9-25-21(27)19-14-5-3-4-6-17(14)31-20(19)24-22(25)30-11-18(26)23-13-7-8-15-16(10-13)29-12-28-15/h2,7-8,10H,1,3-6,9,11-12H2,(H,23,26)InChIKey
KTYNGTJCCMYFDR-UHFFFAOYSA-NSynonyms
301857-99-82((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(benzo(d)(13)dioxol5yl)acetamide
301857998
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)SC5=C2CCCC5
InChI=1SC22H21N3O4S2c1292521(27)1914534617(14)3120(19)2422(25)301118(26)2313781516(1013)29122815h27810H13691112H2(H2326)
MFCD01124473
N(13benzodioxol5yl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000000628634
ZINC00628634
ZINC628634
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