Vitas-M small molecule compound
pentyl {[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK530846
SMILES C=CCn1c(SCC(=O)OCCCCC)nc2c(c1=O)c1CCC(Cc1s2)C
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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 C21H28N2O3S2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3S2/c1-4-6-7-11-26-17(24)13-27-21-22-19-18(20(25)23(21)10-5-2)15-9-8-14(3)12-16(15)28-19/h5,14H,2,4,6-13H2,1,3H3InChIKey
BBKUJYSMWXKBEP-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1CC=C
InChI=1SC21H28N2O3S2c1467112617(24)132721221918(20(25)23(21)1052)159814(3)1216(15)2819h514H24613H213H3
MFCD02240174
pentyl((7methyl4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3allyl7methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((7methyl4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ZINC000004811658
ZINC000004811659
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