Vitas-M small molecule compound

N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

Catalog ID
STK245757
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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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 C24H26N6O4S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O4S/c1-28-21(14-25-23(32)17-7-8-19-20(13-17)34-16-33-19)26-27-24(28)35-15-22(31)30-11-9-29(10-12-30)18-5-3-2-4-6-18/h2-8,13H,9-12,14-16H2,1H3,(H,25,32)
InChIKey
ZUTOUIYMCPJAQF-UHFFFAOYSA-N
Synonyms

BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5(2OXO2(4PHENYLPIPERAZIN1YL)ETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC24H26N6O4Sc12821(142523(32)17781920(1317)34163319)262724(28)351522(31)3011929(101230)185324618h2813H9121416H21H3(H2532)
MFCD08670466
N((4METHYL5((2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4methyl5(2oxo2(4phenylpiperazin1yl)ethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009264919
ZINC09264919
ZINC9264919

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Available files

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