Vitas-M small molecule compound

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

Catalog ID
STK423782
SMILES COC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc(oc1C)C

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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 C23H31NO4S MW 417.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO4S/c1-15-14-18(16(2)28-15)21(25)24-22-20(23(26)27-3)17-12-10-8-6-4-5-7-9-11-13-19(17)29-22/h14H,4-13H2,1-3H3,(H,24,25)
InChIKey
GSPQZLKLHYLFDY-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(O1)C)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC
InChI=1SC23H31NO4Sc1151418(16(2)2815)21(25)242220(23(26)273)171210864579111319(17)2922h14H413H213H3(H2425)
methyl2(((25dimethylfuran3yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2((25dimethylfuran3carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD02176811
ZINC000002089041
ZINC02089041
ZINC2089041

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Available files

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