Vitas-M small molecule compound
methyl {[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
STK530198
SMILES C=CCn1c(SCC(=O)OC)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 C17H20N2O3S2 MW 364.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O3S2/c1-4-7-19-16(21)14-11-6-5-10(2)8-12(11)24-15(14)18-17(19)23-9-13(20)22-3/h4,10H,1,5-9H2,2-3H3InChIKey
QSXCDHHMYOCWPA-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)CC=C
InChI=1SC17H20N2O3S2c1471916(21)14116510(2)812(11)2415(14)1817(19)23913(20)223h410H159H223H3
methyl((7methyl4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3allyl7methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7methyl4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
MFCD02234799
ZINC000001245481
ZINC000001245482
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