Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-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
STL294566
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)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 C23H23N3O4S2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S2/c1-2-9-26-22(28)20-15-5-3-4-6-18(15)32-21(20)25-23(26)31-13-19(27)24-14-7-8-16-17(12-14)30-11-10-29-16/h2,7-8,12H,1,3-6,9-11,13H2,(H,24,27)InChIKey
YARXORRNDLLWTG-UHFFFAOYSA-NSynonyms
298208-06-72((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
298208067
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4)SC5=C2CCCC5
InChI=1SC23H23N3O4S2c1292622(28)2015534618(15)3221(20)2523(26)311319(27)2414781617(1214)3011102916h27812H13691113H2(H2427)
MFCD00843893
N(23dihydro14benzodioxin6yl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dihydro14benzodioxin6yl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000001105434
ZINC01105434
ZINC1105434
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