Vitas-M small molecule compound
methyl [(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK722366
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C(C)(C)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 C17H22N2O3S2 MW 366.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O3S2/c1-17(2,3)9-5-6-10-11(7-9)24-15-13(10)14(21)18-16(19-15)23-8-12(20)22-4/h9H,5-8H2,1-4H3,(H,18,19,21)InChIKey
ZTQNTAITRGSHHG-UHFFFAOYSA-NSynonyms
351338-65-3351338653
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)OC
COC(=O)CSc1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C(C)(C)C
InChI=1SC17H22N2O3S2c117(23)9561011(79)241513(10)14(21)1816(1915)23812(20)224h9H58H214H3(H181921)
methyl((7tertbutyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((7(tertbutyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7tertbutyl4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
MFCD01897886
ZINC000018046131
ZINC000018155835
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