Vitas-M small molecule compound
4-[(1E)-3-oxo-2-[(phenylcarbonyl)amino]-3-(prop-2-en-1-ylamino)prop-1-en-1-yl]phenyl 4-methylbenzenesulfonate
Catalog ID
STL297516
SMILES C=CCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1
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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 C26H24N2O5S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5S/c1-3-17-27-26(30)24(28-25(29)21-7-5-4-6-8-21)18-20-11-13-22(14-12-20)33-34(31,32)23-15-9-19(2)10-16-23/h3-16,18H,1,17H2,2H3,(H,27,30)(H,28,29)/b24-18+InChIKey
QXSFNWDYJHZJRH-HKOYGPOVSA-NSynonyms
371216-73-8(4((E)2BENZAMIDO3OXO3(PROP2ENYLAMINO)PROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(3(allylamino)2benzamido3oxoprop1en1yl)phenyl4methylbenzenesulfonate
371216738
4((1E)3oxo2((phenylcarbonyl)amino)3(prop2en1ylamino)prop1en1yl)phenyl4methylbenzenesulfonate
C=CCNC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)c1ccccc1
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCC=C)NC(=O)C3=CC=CC=C3
InChI=1SC26H24N2O5Sc13172726(30)24(2825(29)217546821)1820111322(141220)3334(3132)2315919(2)101623h31618H117H22H3(H2730)(H2829)b2418+
MFCD01852371
ZINC000013756580
ZINC13756580
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