Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-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
STL294548
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2Cl)C(F)(F)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 C22H19ClF3N3O2S2 MW 513.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClF3N3O2S2/c1-2-9-29-20(31)18-13-5-3-4-6-16(13)33-19(18)28-21(29)32-11-17(30)27-15-10-12(22(24,25)26)7-8-14(15)23/h2,7-8,10H,1,3-6,9,11H2,(H,27,30)InChIKey
VKJCKAXNJLQDLR-UHFFFAOYSA-NSynonyms
356568-80-42((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2chloro5(trifluoromethyl)phenyl)acetamide
356568804
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)SC4=C2CCCC4
InChI=1SC22H19ClF3N3O2S2c1292920(31)1813534616(13)3319(18)2821(29)321117(30)27151012(22(2425)26)7814(15)23h27810H136911H2(H2730)
MFCD01917530
N(2chloro5(trifluoromethyl)phenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2chloro5(trifluoromethyl)phenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000009012965
ZINC09012965
ZINC9012965
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