Vitas-M small molecule compound

2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

Catalog ID
STK049854
SMILES CC(=O)Oc1ccccc1c1nc2n(n1)c(=O)/c(=C\c1ccc3c(c1)OCO3)/s2

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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 C20H13N3O5S MW 407.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O5S/c1-11(24)28-14-5-3-2-4-13(14)18-21-20-23(22-18)19(25)17(29-20)9-12-6-7-15-16(8-12)27-10-26-15/h2-9H,10H2,1H3/b17-9+
InChIKey
NINKTKRXPFKDDN-RQZCQDPDSA-N
Synonyms

(2((5E)5(13BENZODIOXOL5YLMETHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5(benzo(d)(13)dioxol5ylmethylene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5E)5(13BENZODIOXOL5YLMETHYLIDENE)6OXO56DIHYDRO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYLACETATE
2(5(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)6OXO13THIAZOLIDINO(32D)124TRIAZOL2YL)PHENYLACETATE
CC(=O)OC1=CC=CC=C1C2=NN3C(=O)C(=CC4=CC5=C(C=C4)OCO5)SC3=N2
CC(=O)Oc1ccccc1c1nc2n(n1)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
InChI=1SC20H13N3O5Sc111(24)2814532413(14)18212023(2218)19(25)17(2920)912671516(812)27102615h29H10H21H3b179+
MFCD01794272
STK049854
ZINC000005050950
ZINC05050950
ZINC5050950

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Available files

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