Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzamide
Catalog ID
STL176325
SMILES COc1ccc(cc1COc1cccc(c1Cl)Cl)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2
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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 C30H32Cl2N2O3S MW 571.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32Cl2N2O3S/c1-36-25-16-15-20(17-21(25)19-37-26-13-10-12-24(31)28(26)32)29(35)34-30-23(18-33)22-11-8-6-4-2-3-5-7-9-14-27(22)38-30/h10,12-13,15-17H,2-9,11,14,19H2,1H3,(H,34,35)InChIKey
UQTBIUOHQKXBII-UHFFFAOYSA-NSynonyms
723253-16-5723253165
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C#N)COC4=C(C(=CC=C4)Cl)Cl
InChI=1SC30H32Cl2N2O3Sc13625161520(1721(25)19372613101224(31)28(26)32)29(35)343023(1833)2211864235791427(22)3830h1012131517H29111419H21H3(H3435)
MFCD04048289
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)3((23dichlorophenoxy)methyl)4methoxybenzamide
ZINC000002739496
ZINC02739496
ZINC2739496
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