Vitas-M small molecule compound
ethyl 2-[(3-phenylprop-2-ynoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK436170
SMILES CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)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 C26H31NO3S MW 437.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO3S/c1-2-30-26(29)24-21-16-12-7-5-3-4-6-8-13-17-22(21)31-25(24)27-23(28)19-18-20-14-10-9-11-15-20/h9-11,14-15H,2-8,12-13,16-17H2,1H3,(H,27,28)InChIKey
KFJOJQZVIATMTP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C#CC3=CC=CC=C3
ethyl2((3phenylprop2ynoyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ethyl2(3phenylprop2ynoylamino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
InChI=1SC26H31NO3Sc123026(29)24211612753468131722(21)3125(24)2723(28)19182014109111520h9111415H2812131617H21H3(H2728)
MFCD03943918
ZINC000017101636
ZINC17101636
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