Vitas-M small molecule compound
methyl (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[(4-methylphenyl)sulfonyl]prop-2-enoate
Catalog ID
STL133315
SMILES COC(=O)/C(=C\Nc1ccc2c(c1)OCO2)/S(=O)(=O)c1ccc(cc1)C
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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 C18H17NO6S MW 375.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO6S/c1-12-3-6-14(7-4-12)26(21,22)17(18(20)23-2)10-19-13-5-8-15-16(9-13)25-11-24-15/h3-10,19H,11H2,1-2H3/b17-10+InChIKey
DRTIOFALBVWJRY-LICLKQGHSA-NSynonyms
CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC3=C(C=C2)OCO3)C(=O)OC
COC(=O)C(=CNc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(cc1)C
InChI=1SC18H17NO6Sc1123614(7412)26(2122)17(18(20)232)101913581516(913)25112415h31019H11H212H3b1710+
methyl(2E)3(13benzodioxol5ylamino)2((4methylphenyl)sulfonyl)prop2enoate
methyl(E)3(13benzodioxol5ylamino)2(4methylphenyl)sulfonylprop2enoate
MFCD20753635
ZINC000067340497
ZINC67340497
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