Vitas-M small molecule compound
methyl (2E)-3-(1,3-benzodioxol-5-ylamino)-2-{[4-(propan-2-yl)phenyl]sulfonyl}prop-2-enoate
Catalog ID
STL133335
SMILES COC(=O)/C(=C\Nc1ccc2c(c1)OCO2)/S(=O)(=O)c1ccc(cc1)C(C)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 C20H21NO6S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO6S/c1-13(2)14-4-7-16(8-5-14)28(23,24)19(20(22)25-3)11-21-15-6-9-17-18(10-15)27-12-26-17/h4-11,13,21H,12H2,1-3H3/b19-11+InChIKey
LNELBAGCEWQPDH-YBFXNURJSA-NSynonyms
CC(C)C1=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(C)C
InChI=1SC20H21NO6Sc113(2)144716(8514)28(2324)19(20(22)253)112115691718(1015)27122617h4111321H12H213H3b1911+
methyl(2E)3(13benzodioxol5ylamino)2((4(propan2yl)phenyl)sulfonyl)prop2enoate
methyl(E)3(13benzodioxol5ylamino)2(4propan2ylphenyl)sulfonylprop2enoate
MFCD20753655
ZINC000067340547
ZINC67340547
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