Vitas-M small molecule compound

(2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl}amino)but-2-enoic acid

Catalog ID
STK424342
SMILES OC(=O)/C=C/C(=O)Nc1sc2c(c1C(=O)OC(C)C)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 C22H31NO5S MW 421.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO5S/c1-15(2)28-22(27)20-16-11-9-7-5-3-4-6-8-10-12-17(16)29-21(20)23-18(24)13-14-19(25)26/h13-15H,3-12H2,1-2H3,(H,23,24)(H,25,26)/b14-13+
InChIKey
WPSRTNAHEXUSFM-BUHFOSPRSA-N
Synonyms

(2E)4oxo4((3((propan2yloxy)carbonyl)45678910111213decahydrocyclododeca(b)thiophen2yl)amino)but2enoicacid
(E)4oxo4((3propan2yloxycarbonyl45678910111213decahydrocyclododeca(b)thiophen2yl)amino)but2enoicacid
CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C=CC(=O)O
InChI=1SC22H31NO5Sc115(2)2822(27)2016119753468101217(16)2921(20)2318(24)131419(25)26h1315H312H212H3(H2324)(H2526)b1413+
MFCD01924121
OC(=O)C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2
ZINC000005633316
ZINC5633316

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Available files

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