Vitas-M small molecule compound
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl (2E)-3-phenylprop-2-enoate
Catalog ID
STL290889
SMILES O=C(Oc1cc(C)c(cc1C(C)C)NC1=NS(=O)(=O)c2c1cccc2)/C=C/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 C26H24N2O4S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O4S/c1-17(2)21-16-22(27-26-20-11-7-8-12-24(20)33(30,31)28-26)18(3)15-23(21)32-25(29)14-13-19-9-5-4-6-10-19/h4-17H,1-3H3,(H,27,28)/b14-13+InChIKey
HAIUOAWKWQSZIP-BUHFOSPRSA-NSynonyms
(4((11DIOXO12BENZOTHIAZOL3YL)AMINO)5METHYL2PROPAN2YLPHENYL)(E)3PHENYLPROP2ENOATE
4((11dioxido12benzothiazol3yl)amino)5methyl2(propan2yl)phenyl(2E)3phenylprop2enoate
CC1=C(C=C(C(=C1)OC(=O)C=CC2=CC=CC=C2)C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC26H24N2O4Sc117(2)211622(27262011781224(20)33(3031)2826)18(3)1523(21)3225(29)14131995461019h417H13H3(H2728)b1413+
MFCD01426785
O=C(Oc1cc(C)c(cc1C(C)C)NC1=NS(=O)(=O)c2c1cccc2)C=Cc1ccccc1
ZINC000001156985
ZINC01156985
ZINC1156985
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