Vitas-M small molecule compound
2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK698933
SMILES C=CCn1c(SCCCCN2C(=O)c3c(C2=O)cccc3)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 C25H25N3O3S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S2/c1-2-13-28-24(31)20-18-11-5-6-12-19(18)33-21(20)26-25(28)32-15-8-7-14-27-22(29)16-9-3-4-10-17(16)23(27)30/h2-4,9-10H,1,5-8,11-15H2InChIKey
YWGARMIIORELHK-UHFFFAOYSA-NSynonyms
371934-60-02(4((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)butyl)isoindoline13dione
2(4((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)butyl)1Hisoindole13(2H)dione
2(4((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)butyl)isoindole13dione
371934600
C=CCN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC5=C2CCCC5
InChI=1SC25H25N3O3S2c12132824(31)201811561219(18)3321(20)2625(28)321587142722(29)169341017(16)23(27)30h24910H1581115H2
MFCD01853945
ZINC000002267168
ZINC02267168
ZINC2267168
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