Vitas-M small molecule compound

N-[4-(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-methoxybenzamide

Catalog ID
STL357657
SMILES COc1ccccc1C(=O)Nc1ccc(cc1)c1nnc(n1C)SCC(=O)NCc1ccccc1

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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 C26H25N5O3S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3S/c1-31-24(29-30-26(31)35-17-23(32)27-16-18-8-4-3-5-9-18)19-12-14-20(15-13-19)28-25(33)21-10-6-7-11-22(21)34-2/h3-15H,16-17H2,1-2H3,(H,27,32)(H,28,33)
InChIKey
JGJOTPBAYJSXSY-UHFFFAOYSA-N
Synonyms
425650-38-0
425650380
CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC
InChI=1SC26H25N5O3Sc13124(293026(31)351723(32)2716188435918)19121420(151319)2825(33)2110671122(21)342h315H1617H212H3(H2732)(H2833)
MFCD02916973
N(4(5((2(benzylamino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)phenyl)2methoxybenzamide
N(4(5((2(benzylamino)2oxoethyl)thio)4methyl4H124triazol3yl)phenyl)2methoxybenzamide
N(4(5(2(BENZYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)2METHOXYBENZAMIDE
ZINC000001185673
ZINC01185673
ZINC1185673

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Available files

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