Vitas-M small molecule compound

(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-(2-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK815330
SMILES [O-][N+](=O)c1ccccc1/C=c/1\sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2

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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 C20H12N4O4S MW 404.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N4O4S/c1-11-13-7-3-5-9-15(13)28-17(11)18-21-20-23(22-18)19(25)16(29-20)10-12-6-2-4-8-14(12)24(26)27/h2-10H,1H3/b16-10-
InChIKey
KSXVKVXVAVGQSG-YBEGLDIGSA-N
Synonyms
606958-39-8
(5Z)2(3METHYL1BENZOFURAN2YL)5((2NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(3methyl1benzofuran2yl)5(2nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(O)(N+)(=O)c1ccccc1C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
2(3METHYLBENZOFURAN2YL)5(2NITROBENZYLIDENE)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
606958398
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CC=CC=C5(N+)(=O)(O))SC4=N3
InChI=1SC20H12N4O4Sc11113735915(13)2817(11)18212023(2218)19(25)16(2920)1012624814(12)24(26)27h210H1H3b1610
MFCD03532928
ZINC000001134359
ZINC01134359
ZINC1134359

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Available files

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