Vitas-M small molecule compound
3-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
Catalog ID
STL175871
SMILES N#Cc1c(NC(=O)c2cccc(c2)COc2ccccc2Br)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 C29H31BrN2O2S MW 551.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrN2O2S/c30-25-15-9-10-16-26(25)34-20-21-12-11-13-22(18-21)28(33)32-29-24(19-31)23-14-7-5-3-1-2-4-6-8-17-27(23)35-29/h9-13,15-16,18H,1-8,14,17,20H2,(H,32,33)InChIKey
RSJZHHNKUGPVNX-UHFFFAOYSA-NSynonyms
3((2bromophenoxy)methyl)N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)benzamide
C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3=CC(=CC=C3)COC4=CC=CC=C4Br)C#N
InChI=1SC29H31BrN2O2Sc3025159101626(25)34202112111322(1821)28(33)322924(1931)2314753124681727(23)3529h913151618H18141720H2(H3233)
MFCD03466747
ZINC000008454961
ZINC08454961
ZINC8454961
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