Vitas-M small molecule compound
5-[(2E)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Catalog ID
STK370917
SMILES CCn1/c(=C\C=C2C(=O)OC(OC2=O)(C)C)/sc2c1cccc2
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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 C17H17NO4S MW 331.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4S/c1-4-18-12-7-5-6-8-13(12)23-14(18)10-9-11-15(19)21-17(2,3)22-16(11)20/h5-10H,4H2,1-3H3/b14-10+InChIKey
NFWJPFQJTCZGAA-GXDHUFHOSA-NSynonyms
5((2E)2(3ethyl13benzothiazol2(3H)ylidene)ethylidene)22dimethyl13dioxane46dione
5((2E)2(3ETHYL13BENZOTHIAZOL2YLIDENE)ETHYLIDENE)22DIMETHYL13DIOXANE46DIONE
5(2(3ETHYL13BENZOTHIAZOL2(3H)YLIDENE)ETHYLIDENE)22DIMETHYL13DIOXANE46DIONE
CCn1c(=CC=C2C(=O)OC(OC2=O)(C)C)sc2c1cccc2
CCN1C2=CC=CC=C2SC1=CC=C3C(=O)OC(OC3=O)(C)C
InChI=1SC17H17NO4Sc141812756813(12)2314(18)1091115(19)2117(23)2216(11)20h510H4H213H3b1410+
MFCD00611081
ZINC000000028044
ZINC00028044
ZINC28044
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