Vitas-M small molecule compound

(2E)-4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid

Catalog ID
STK449460
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCCC2

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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/c1-2-28-22(27)20-16-12-10-8-6-4-3-5-7-9-11-13-17(16)29-21(20)23-18(24)14-15-19(25)26/h14-15H,2-13H2,1H3,(H,23,24)(H,25,26)/b15-14+
InChIKey
PPFHSZBBHMRHIV-CCEZHUSRSA-N
Synonyms

(2E)4((3(ethoxycarbonyl)567891011121314decahydro4Hcyclotrideca(b)thiophen2yl)amino)4oxobut2enoicacid
(E)4((16ethoxycarbonyl14thiabicyclo(1130)hexadeca1(13)15dien15yl)amino)4oxobut2enoicacid
CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCCCCCCCCCC2
InChI=1SC22H31NO5Sc122822(27)201612108643579111317(16)2921(20)2318(24)141519(25)26h1415H213H21H3(H2324)(H2526)b1514+
MFCD03467641
ZINC000006758435
ZINC6758435

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Available files

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