Vitas-M small molecule compound

N-(4-butylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STL339477
SMILES CCCCc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC=C)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 C25H29N3O2S2 MW 467.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S2/c1-3-5-8-17-11-13-18(14-12-17)26-21(29)16-31-25-27-23-22(24(30)28(25)15-4-2)19-9-6-7-10-20(19)32-23/h4,11-14H,2-3,5-10,15-16H2,1H3,(H,26,29)
InChIKey
OCJYCOYMJMMWGS-UHFFFAOYSA-N
Synonyms
760182-86-3
2((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4butylphenyl)acetamide
760182863
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC25H29N3O2S2c135817111318(141217)2621(29)163125272322(24(30)28(25)1542)199671020(19)3223h41114H235101516H21H3(H2629)
MFCD04011660
N(4butylphenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4butylphenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002388743
ZINC02388743
ZINC2388743

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Available files

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