Vitas-M small molecule compound

2-[(5Z)-5-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

Catalog ID
STK983069
SMILES CC(=O)Oc1ccccc1c1nc2n(n1)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)C)/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 C21H14N4O4S MW 418.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O4S/c1-11(26)29-15-10-6-4-8-13(15)18-22-21-25(23-18)20(28)17(30-21)16-12-7-3-5-9-14(12)24(2)19(16)27/h3-10H,1-2H3/b17-16-
InChIKey
APXJBTNTEYLXEE-MSUUIHNZSA-N
Synonyms
329923-20-8
(2((5Z)5(1METHYL2OXOINDOL3YLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5(1methyl2oxoindolin3ylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5(1methyl2oxo12dihydro3Hindol3ylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
2(5(1METHYL2OXOBENZO(D)AZOLIDIN3YLIDENE)6OXO13THIAZOLIDINO(32D)124TRIAZOL2YL)PHENYLACETATE
329923208
CC(=O)OC1=CC=CC=C1C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)C)SC3=N2
CC(=O)Oc1ccccc1c1nc2n(n1)c(=O)c(=C1C(=O)N(c3c1cccc3)C)s2
InChI=1SC21H14N4O4Sc111(26)29151064813(15)18222125(2318)20(28)17(3021)1612735914(12)24(2)19(16)27h310H12H3b1716
MFCD01457544
ZINC000001788631
ZINC01788631
ZINC1788631

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.