Vitas-M small molecule compound
pentyl {[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK539309
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)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 C26H32N2O4S2 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4S2/c1-5-6-7-11-31-22(29)15-33-26-27-24-23(19-13-20(16(2)3)32-14-21(19)34-24)25(30)28(26)18-10-8-9-17(4)12-18/h8-10,12,16,20H,5-7,11,13-15H2,1-4H3InChIKey
TXNDEIPKISYDKU-UHFFFAOYSA-NSynonyms
371205-10-6371205106
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1C4=CC=CC(=C4)C
InChI=1SC26H32N2O4S2c1567113122(29)153326272423(191320(16(2)3)321421(19)3424)25(30)28(26)18108917(4)1218h810121620H57111315H214H3
MFCD03009539
pentyl((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
pentyl2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
ZINC000001833594
ZINC000001833595
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