Vitas-M small molecule compound

diethyl [(2Z)-2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]propanedioate

Catalog ID
STK366435
SMILES CCOC(=O)C(=C/C=c/1\sc2c(n1C)cccc2)C(=O)OCC

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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 C17H19NO4S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4S/c1-4-21-16(19)12(17(20)22-5-2)10-11-15-18(3)13-8-6-7-9-14(13)23-15/h6-11H,4-5H2,1-3H3/b15-11-
InChIKey
FYZDXXZZKACZID-PTNGSMBKSA-N
Synonyms

CCOC(=O)C(=CC=C1N(C2=CC=CC=C2S1)C)C(=O)OCC
CCOC(=O)C(=CC=c1sc2c(n1C)cccc2)C(=O)OCC
diethyl((2Z)2(3methyl13benzothiazol2(3H)ylidene)ethylidene)propanedioate
DIETHYL2((2Z)2(3METHYL13BENZOTHIAZOL2YLIDENE)ETHYLIDENE)PROPANEDIOATE
InChI=1SC17H19NO4Sc142116(19)12(17(20)2252)10111518(3)13867914(13)2315h611H45H213H3b1511
MFCD00397259
ZINC000003149577
ZINC03149577
ZINC3149577

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.