Vitas-M small molecule compound
(2E)-N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylprop-2-enamide
Catalog ID
STK724222
SMILES O=C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)C(C)(C)C)/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 C27H26N2OS2 MW 458.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2OS2/c1-27(2,3)21-12-9-20(10-13-21)18-31-26-29-23-15-14-22(17-24(23)32-26)28-25(30)16-11-19-7-5-4-6-8-19/h4-17H,18H2,1-3H3,(H,28,30)/b16-11+InChIKey
PZEWQPTYPYRFIM-LFIBNONCSA-NSynonyms
(2E)N(2((4(TERTBUTYL)PHENYL)METHYLTHIO)BENZOTHIAZOL6YL)3PHENYLPROP2ENAMIDE
(2E)N(2((4tertbutylbenzyl)sulfanyl)13benzothiazol6yl)3phenylprop2enamide
(E)N(2((4TERTBUTYLPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)3PHENYLPROP2ENAMIDE
CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4
InChI=1SC27H26N2OS2c127(23)2112920(101321)1831262923151422(1724(23)3226)2825(30)1611197546819h417H18H213H3(H2830)b1611+
MFCD01305487
O=C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)C(C)(C)C)C=Cc1ccccc1
ZINC000003666205
ZINC03666205
ZINC3666205
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