Vitas-M small molecule compound

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

Catalog ID
STK818766
SMILES CCCCCOc1ccc(cc1OCC)/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/c1-4-6-9-14-33-21-13-12-18(15-22(21)32-5-2)16-23-25(31)29-26(35-23)27-24(28-29)19-10-7-8-11-20(19)34-17(3)30/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3/b23-16-
InChIKey
CTQYQWHXYNQVCZ-KQWNVCNZSA-N
Synonyms
861645-07-0
(2((5Z)5((3ETHOXY4PENTOXYPHENYL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5(3ethoxy4(pentyloxy)benzylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5(3ethoxy4(pentyloxy)benzylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
2(5((3ETHOXY4PENTYLOXYPHENYL)METHYLENE)6OXO13THIAZOLIDINO(32D)124TRIAZOL2YL)PHENYLACETATE
861645070
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C
InChI=1SC26H27N3O5Sc1469143321131218(1522(21)3252)162325(31)2926(3523)2724(2829)1910781120(19)3417(3)30h7810131516H46914H213H3b2316
MFCD03666969
ZINC000009496670
ZINC09496670
ZINC9496670

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Available files

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