Vitas-M small molecule compound
pentyl [(7-tert-butyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK720930
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)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 C27H34N2O3S2 MW 498.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O3S2/c1-5-6-10-15-32-22(30)17-33-26-28-24-23(25(31)29(26)19-11-8-7-9-12-19)20-14-13-18(27(2,3)4)16-21(20)34-24/h7-9,11-12,18H,5-6,10,13-17H2,1-4H3InChIKey
GDJRAASOJJERMZ-UHFFFAOYSA-NSynonyms
351161-39-2351161392
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=CC=C4
InChI=1SC27H34N2O3S2c15610153222(30)173326282423(25(31)29(26)19118791219)20141318(27(23)4)1621(20)3424h79111218H56101317H214H3
MFCD01943512
pentyl((7tertbutyl4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((7(tertbutyl)4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((7tertbutyl4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ZINC000002277210
ZINC000002277211
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