Vitas-M small molecule compound
N-[3-(prop-2-en-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STK880893
SMILES C=CCNC(=O)c1c(NC(=O)C2COc3c(O2)cccc3)sc2c1CCCC2
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-2-11-22-20(25)18-13-7-3-6-10-17(13)28-21(18)23-19(24)16-12-26-14-8-4-5-9-15(14)27-16/h2,4-5,8-9,16H,1,3,6-7,10-12H2,(H,22,25)(H,23,24)InChIKey
CVJWMXWILOCNFZ-UHFFFAOYSA-NSynonyms
434287-38-4434287384
C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3COC4=CC=CC=C4O3
InChI=1SC21H22N2O4Sc12112220(25)18137361017(13)2821(18)2319(24)16122614845915(14)2716h2458916H13671012H2(H2225)(H2324)
MFCD03444811
N(3(prop2en1ylcarbamoyl)4567tetrahydro1benzothiophen2yl)23dihydro14benzodioxine2carboxamide
N(3(prop2enylcarbamoyl)4567tetrahydro1benzothiophen2yl)23dihydro14benzodioxine3carboxamide
ZINC000002501850
ZINC000002501851
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