Vitas-M small molecule compound

2-{(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate

Catalog ID
STK706152
SMILES CCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C

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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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-4-5-6-9-14-33-21-13-12-18(15-22(21)32-3)16-23-25(31)29-26(35-23)27-24(28-29)19-10-7-8-11-20(19)34-17(2)30/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3/b23-16-
InChIKey
XSOBAYSSCKROTF-KQWNVCNZSA-N
Synonyms
849019-08-5
(2((5Z)5((4HEXOXY3METHOXYPHENYL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5(4(hexyloxy)3methoxybenzylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5(4(hexyloxy)3methoxybenzylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
2(5((4HEXYLOXY3METHOXYPHENYL)METHYLENE)6OXO13THIAZOLIDINO(32D)124TRIAZOL2YL)PHENYLACETATE
849019085
CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2)OC
CCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C
InChI=1SC26H27N3O5Sc14569143321131218(1522(21)323)162325(31)2926(3523)2724(2829)1910781120(19)3417(2)30h7810131516H46914H213H3b2316
MFCD03666645
ZINC000013788161
ZINC13788161

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Available files

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