Vitas-M small molecule compound

propyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK446887
SMILES CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2

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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 C23H25NO5S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S/c1-2-12-27-23(26)21-16-6-4-3-5-7-19(16)30-22(21)24-20(25)11-9-15-8-10-17-18(13-15)29-14-28-17/h8-11,13H,2-7,12,14H2,1H3,(H,24,25)/b11-9+
InChIKey
SYPVEOZFXDIRHN-PKNBQFBNSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC4=C(C=C3)OCO4
CCCOC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2
InChI=1SC23H25NO5Sc12122723(26)21166435719(16)3022(21)2420(25)119158101718(1315)29142817h81113H271214H21H3(H2425)b119+
MFCD01346360
propyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2(((E)3(13benzodioxol5yl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002082377
ZINC02082377
ZINC2082377

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Available files

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