Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-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
STL294555
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)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 C21H19ClFN3O2S2 MW 463.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN3O2S2/c1-2-9-26-20(28)18-13-5-3-4-6-16(13)30-19(18)25-21(26)29-11-17(27)24-12-7-8-15(23)14(22)10-12/h2,7-8,10H,1,3-6,9,11H2,(H,24,27)InChIKey
OQUOMYMXSWONRN-UHFFFAOYSA-NSynonyms
379244-14-12((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(3chloro4fluorophenyl)acetamide
379244141
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl)SC4=C2CCCC4
InChI=1SC21H19ClFN3O2S2c1292620(28)1813534616(13)3019(18)2521(26)291117(27)24127815(23)14(22)1012h27810H136911H2(H2427)
MFCD02654978
N(3chloro4fluorophenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(3chloro4fluorophenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000000628598
ZINC00628598
ZINC628598
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