Vitas-M small molecule compound

3-(7-methoxy-1-benzofuran-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STK245692
SMILES C=CCn1c(nnc1c1cc2c(o1)c(OC)ccc2)SCc1ccc(cc1)[N+](=O)[O-]

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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-3-11-24-20(18-12-15-5-4-6-17(28-2)19(15)29-18)22-23-21(24)30-13-14-7-9-16(10-8-14)25(26)27/h3-10,12H,1,11,13H2,2H3
InChIKey
ZSELOGCKSICGFW-UHFFFAOYSA-N
Synonyms

3(7METHOXY1BENZOFURAN2YL)5((4NITROBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
3(7methoxy1benzofuran2yl)5((4nitrophenyl)methylsulfanyl)4prop2enyl124triazole
4ALLYL3(7METHOXYBENZOFURAN2YL)5(4NITROBENZYLSULFANYL)4H(124)TRIAZOLE
C=CCn1c(nnc1c1cc2c(o1)c(OC)ccc2)SCc1ccc(cc1)(N+)(=O)(O)
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H18N4O4Sc13112420(18121554617(282)19(15)2918)222321(24)3013147916(10814)25(26)27h31012H11113H22H3
MFCD08670366
ZINC000009327839
ZINC09327839
ZINC9327839

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Available files

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