Vitas-M small molecule compound

methyl 4-{[({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate

Catalog ID
STL032365
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1COc1ccc(cc1)C

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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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-4-13-27-20(14-31-19-11-5-16(2)6-12-19)25-26-23(27)32-15-21(28)24-18-9-7-17(8-10-18)22(29)30-3/h4-12H,1,13-15H2,2-3H3,(H,24,28)
InChIKey
WTWXCFGCAGPABW-UHFFFAOYSA-N
Synonyms
848922-81-6
848922816
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC23H24N4O4Sc14132720(14311911516(2)61219)252623(27)321521(28)24189717(81018)22(29)303h412H11315H223H3(H2428)
methyl4((((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5(4METHYLPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD04388238
ZINC000002443075
ZINC02443075
ZINC2443075

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Available files

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