Vitas-M small molecule compound

2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone

Catalog ID
STL172340
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)OC)nnc1CNc1ccc(cc1)I

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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 C21H21IN4O2S MW 520.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21IN4O2S/c1-3-12-26-20(13-23-17-8-6-16(22)7-9-17)24-25-21(26)29-14-19(27)15-4-10-18(28-2)11-5-15/h3-11,23H,1,12-14H2,2H3
InChIKey
HCZQDHANGUNBPS-UHFFFAOYSA-N
Synonyms
514218-71-4
2((5(((4iodophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((5((4IODOANILINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
514218714
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)I
InChI=1SC21H21IN4O2Sc13122620(1323178616(22)7917)242521(26)291419(27)1541018(282)11515h31123H11214H22H3
MFCD02053808
ZINC000002746901
ZINC02746901
ZINC2746901

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Available files

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