Vitas-M small molecule compound

methyl 2-[(4-phenylbutanoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Catalog ID
STK423266
SMILES COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCCCCCCCCC2

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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 C26H35NO3S MW 441.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO3S/c1-30-26(29)24-21-17-11-6-4-2-3-5-7-12-18-22(21)31-25(24)27-23(28)19-13-16-20-14-9-8-10-15-20/h8-10,14-15H,2-7,11-13,16-19H2,1H3,(H,27,28)
InChIKey
JOAQVTWZCIBBJM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)CCCC3=CC=CC=C3
InChI=1SC26H35NO3Sc13026(29)24211711642357121822(21)3125(24)2723(28)191316201498101520h8101415H2711131619H21H3(H2728)
methyl2((4phenylbutanoyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2(4phenylbutanoylamino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD02176777
ZINC000002759605
ZINC02759605
ZINC2759605

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Available files

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