Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]ethyl 4-tert-butylbenzoate
Catalog ID
STL286916
SMILES O=C(c1ccc(cc1)C(C)(C)C)OCCSC1=NS(=O)(=O)c2c1cccc2
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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 C20H21NO4S2 MW 403.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4S2/c1-20(2,3)15-10-8-14(9-11-15)19(22)25-12-13-26-18-16-6-4-5-7-17(16)27(23,24)21-18/h4-11H,12-13H2,1-3H3InChIKey
LDORLMWSYFLLMW-UHFFFAOYSA-NSynonyms
2((11dioxido12benzothiazol3yl)sulfanyl)ethyl4tertbutylbenzoate
2((11dioxo12benzothiazol3yl)sulfanyl)ethyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC20H21NO4S2c120(23)1510814(91115)19(22)251213261816645717(16)27(2324)2118h411H1213H213H3
MFCD01239390
ZINC000095481754
ZINC95481754
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