Vitas-M small molecule compound

N-cyclooctyl-1-[7-(3-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide

Catalog ID
STL097556
SMILES COc1cccc(c1)c1csc2c1nc([nH]c2=O)N1CCCC(C1)C(=O)NC1CCCCCCC1

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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 C27H34N4O3S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O3S/c1-34-21-13-7-9-18(15-21)22-17-35-24-23(22)29-27(30-26(24)33)31-14-8-10-19(16-31)25(32)28-20-11-5-3-2-4-6-12-20/h7,9,13,15,17,19-20H,2-6,8,10-12,14,16H2,1H3,(H,28,32)(H,29,30,33)
InChIKey
TXDWRJBOZBXMPQ-UHFFFAOYSA-N
Synonyms
1251632-20-8
1251632208
COC1=CC=CC(=C1)C2=CSC3=C2NC(=NC3=O)N4CCCC(C4)C(=O)NC5CCCCCCC5
COc1cccc(c1)c1csc2c1nc((nH)c2=O)N1CCCC(C1)C(=O)NC1CCCCCCC1
InChI=1SC27H34N4O3Sc13421137918(1521)2217352423(22)2927(3026(24)33)311481019(1631)25(32)282011532461220h791315171920H26810121416H21H3(H2832)(H293033)
MFCD18789229
Ncyclooctyl1(7(3methoxyphenyl)4oxo1Hthieno(32d)pyrimidin2yl)piperidine3carboxamide
Ncyclooctyl1(7(3methoxyphenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)piperidine3carboxamide
ZINC000049421342
ZINC000049421343

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Available files

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