Vitas-M small molecule compound

4-[({[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide

Catalog ID
STK574087
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)N)nnc1COc1ccccc1

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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 C25H23N5O4S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O4S/c1-33-20-13-11-19(12-14-20)30-22(15-34-21-5-3-2-4-6-21)28-29-25(30)35-16-23(31)27-18-9-7-17(8-10-18)24(26)32/h2-14H,15-16H2,1H3,(H2,26,32)(H,27,31)
InChIKey
RWOJRBLIDMYIJQ-UHFFFAOYSA-N
Synonyms
896839-27-3
4((((4(4methoxyphenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzamide
4((2((4(4METHOXYPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZAMIDE
4(2((4(4METHOXYPHENYL)5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZAMIDE
4(2((4(4methoxyphenyl)5(phenoxymethyl)4H124triazol3yl)thio)acetamido)benzamide
4(2(4(4METHOXYPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZAMIDE
896839273
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)COC4=CC=CC=C4
InChI=1SC25H23N5O4Sc13320131119(121420)3022(1534215324621)282925(30)351623(31)27189717(81018)24(26)32h214H1516H21H3(H22632)(H2731)
MFCD06601148
ZINC000002227605
ZINC02227605
ZINC2227605

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Available files

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