Vitas-M small molecule compound
N-(2-methoxydibenzo[b,d]furan-3-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
STL340361
SMILES C=CCn1c(SCC(=O)Nc2cc3oc4c(c3cc2OC)cccc4)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 C28H25N3O4S2 MW 531.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S2/c1-3-12-31-27(33)25-17-9-5-7-11-23(17)37-26(25)30-28(31)36-15-24(32)29-19-14-21-18(13-22(19)34-2)16-8-4-6-10-20(16)35-21/h3-4,6,8,10,13-14H,1,5,7,9,11-12,15H2,2H3,(H,29,32)InChIKey
IBNCJCVDZOIDQF-UHFFFAOYSA-NSynonyms
577765-14-12((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2methoxydibenzo(bd)furan3yl)acetamide
577765141
COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NC5=C(C6=C(S5)CCCC6)C(=O)N4CC=C
InChI=1SC28H25N3O4S2c13123127(33)25179571123(17)3726(25)3028(31)361524(32)2919142118(1322(19)342)168461020(16)3521h3468101314H1579111215H22H3(H2932)
MFCD04018981
N(2methoxydibenzo(bd)furan3yl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2methoxydibenzofuran3yl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100198545
ZINC100198545
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