Vitas-M small molecule compound
N-(2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Catalog ID
STK760950
SMILES O=C(NC(C)(C)C)CSc1nc2c(s1)cc(cc2)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 C20H27N3O2S2 MW 405.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O2S2/c1-20(2,3)23-17(24)12-26-19-22-15-10-9-14(11-16(15)27-19)21-18(25)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H,21,25)(H,23,24)InChIKey
WKAXFYYELLKSDR-UHFFFAOYSA-NSynonyms
CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCCC3
InChI=1SC20H27N3O2S2c120(23)2317(24)122619221510914(1116(15)2719)2118(25)137546813h91113H4812H213H3(H2125)(H2324)
MFCD01208974
N(2((2(tertbutylamino)2oxoethyl)sulfanyl)13benzothiazol6yl)cyclohexanecarboxamide
N(2(2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)CYCLOHEXANECARBOXAMIDE
ZINC000000715068
ZINC00715068
ZINC715068
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