Vitas-M small molecule compound

2-(4-tert-butylphenoxy)-N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

Catalog ID
STL151223
SMILES COc1ccccc1c1n[nH]/c(=N\C(=O)COc2ccc(cc2)C(C)(C)C)/s1

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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-21(2,3)14-9-11-15(12-10-14)27-13-18(25)22-20-24-23-19(28-20)16-7-5-6-8-17(16)26-4/h5-12H,13H2,1-4H3,(H,22,24,25)
InChIKey
VNGNFTANRMIFQY-UHFFFAOYSA-N
Synonyms
714291-23-3
2(4tertbutylphenoxy)N((2E)5(2methoxyphenyl)134thiadiazol2(3H)ylidene)acetamide
2(4TERTBUTYLPHENOXY)N(5(2METHOXYPHENYL)134THIADIAZOL2YL)ACETAMIDE
714291233
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CC=C3OC
COc1ccccc1c1n(nH)c(=NC(=O)COc2ccc(cc2)C(C)(C)C)s1
InChI=1SC21H23N3O3Sc121(23)1491115(121014)271318(25)2220242319(2820)16756817(16)264h512H13H214H3(H222425)
MFCD05730377
ZINC000005500813
ZINC05500813
ZINC5500813

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Available files

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