Vitas-M small molecule compound
propan-2-yl {[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
STL340593
SMILES C=CCn1c(SCC(=O)OC(C)C)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 C18H22N2O3S2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S2/c1-4-9-20-17(22)15-12-7-5-6-8-13(12)25-16(15)19-18(20)24-10-14(21)23-11(2)3/h4,11H,1,5-10H2,2-3H3InChIKey
DQIKHGHXLGRYQJ-UHFFFAOYSA-NSynonyms
573945-18-3573945183
CC(C)OC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C
InChI=1SC18H22N2O3S2c1492017(22)1512756813(12)2516(15)1918(20)241014(21)2311(2)3h411H1510H223H3
isopropyl2((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
MFCD04020892
propan2yl((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
propan2yl2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ZINC000000731789
ZINC00731789
ZINC731789
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