Vitas-M small molecule compound
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}-N,N-diphenylacetamide
Catalog ID
STK841856
SMILES C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)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 C27H25N3O2S2 MW 487.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S2/c1-2-17-29-26(32)24-21-15-9-10-16-22(21)34-25(24)28-27(29)33-18-23(31)30(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-8,11-14H,1,9-10,15-18H2InChIKey
RRMSCBATARRNPC-UHFFFAOYSA-NSynonyms
497868-11-82((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)NNdiphenylacetamide
2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)NNdiphenylacetamide
2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)NNdiphenylacetamide
497868118
C=CCN1C(=O)C2=C(N=C1SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)SC5=C2CCCC5
InChI=1SC27H25N3O2S2c12172926(32)2421159101622(21)3425(24)2827(29)331823(31)30(19115361219)20137481420h281114H19101518H2
MFCD03301124
ZINC000001888080
ZINC01888080
ZINC1888080
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