Vitas-M small molecule compound

N-(2-butyl-6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-2,2-diphenylacetamide

Catalog ID
STK722127
SMILES CCCCc1nc2sc3c(c2c(=O)n1NC(=O)C(c1ccccc1)c1ccccc1)CC(OC3)(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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-4-5-16-23-30-27-25(21-17-29(2,3)35-18-22(21)36-27)28(34)32(23)31-26(33)24(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,24H,4-5,16-18H2,1-3H3,(H,31,33)
InChIKey
JCDLKACRKLYPMG-UHFFFAOYSA-N
Synonyms
306967-32-8
306967328
CCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H31N3O3Sc1451623302725(211729(23)351822(21)3627)28(34)32(23)3126(33)24(19128691319)2014107111520h61524H451618H213H3(H3133)
MFCD01877827
N(2butyl66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin3yl)22diphenylacetamide
N(2butyl66dimethyl4oxo58dihydro4Hpyrano(4345)thieno(23d)pyrimidin3(6H)yl)22diphenylacetamide
N(2butyl66dimethyl4oxo58dihydropyrano(23)thieno(24d)pyrimidin3yl)22diphenylacetamide
ZINC000013775066
ZINC13775066

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Available files

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