Vitas-M small molecule compound

N-(4-oxo-2-pentyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-3,3-diphenylpropanamide

Catalog ID
STK722129
SMILES CCCCCc1nc2sc3c(c2c(=O)n1NC(=O)CC(c1ccccc1)c1ccccc1)CCCC3

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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 C30H33N3O2S MW 499.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2S/c1-2-3-6-19-26-31-29-28(23-17-11-12-18-25(23)36-29)30(35)33(26)32-27(34)20-24(21-13-7-4-8-14-21)22-15-9-5-10-16-22/h4-5,7-10,13-16,24H,2-3,6,11-12,17-20H2,1H3,(H,32,34)
InChIKey
YEHXNWMITLJPCJ-UHFFFAOYSA-N
Synonyms
372157-67-0
372157670
CCCCCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC30H33N3O2Sc12361926312928(231711121825(23)3629)30(35)33(26)3227(34)2024(21137481421)221595101622h45710131624H23611121720H21H3(H3234)
MFCD01879016
N(4oxo2pentyl5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)33diphenylpropanamide
N(4oxo2pentyl5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)33diphenylpropanamide
N(4oxo2pentyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)33diphenylpropanamide
ZINC000002274708
ZINC02274708
ZINC2274708

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Available files

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