Vitas-M small molecule compound

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

Catalog ID
STK423222
SMILES Clc1ccc(cc1)OC(C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2)(C)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 C28H38ClNO4S MW 520.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38ClNO4S/c1-19(2)33-26(31)24-22-13-11-9-7-5-6-8-10-12-14-23(22)35-25(24)30-27(32)28(3,4)34-21-17-15-20(29)16-18-21/h15-19H,5-14H2,1-4H3,(H,30,32)
InChIKey
KJVVQJYXSXEVQX-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl
InChI=1SC28H38ClNO4Sc119(2)3326(31)242213119756810121423(22)3525(24)3027(32)28(34)3421171520(29)161821h1519H514H214H3(H3032)
MFCD02176798
propan2yl2((2(4chlorophenoxy)2methylpropanoyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000002759625
ZINC02759625
ZINC2759625

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Available files

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