Vitas-M small molecule compound

7,7-dimethyl-1-pentyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione

Catalog ID
STK780412
SMILES CCCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

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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 C20H26N2OS MW 342.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2OS/c1-4-5-9-12-22-17-13-20(2,3)23-14-16(17)19(24)21-18(22)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3
InChIKey
VZGCLTLQWPDZEX-UHFFFAOYSA-N
Synonyms
727673-90-7
727673907
77dimethyl1pentyl2phenyl1578tetrahydro4Hpyrano(43d)pyrimidine4thione
77DIMETHYL1PENTYL2PHENYL58DIHYDROPYRANO(43D)PYRIMIDINE4THIONE
77dimethyl1pentyl2phenyl78dihydro1Hpyrano(43d)pyrimidine4(5H)thione
CCCCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3
InChI=1SC20H26N2OSc14591222171320(23)231416(17)19(24)2118(22)15107681115h681011H4591214H213H3
MFCD04015995
ZINC000002447885
ZINC02447885
ZINC2447885

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.