Vitas-M small molecule compound
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245766
SMILES CCn1c(SCC(=O)NCc2ccccc2)nnc1CNC(=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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-2-27-19(12-24-21(29)16-8-9-17-18(10-16)31-14-30-17)25-26-22(27)32-13-20(28)23-11-15-6-4-3-5-7-15/h3-10H,2,11-14H2,1H3,(H,23,28)(H,24,29)InChIKey
YEDYHYFVJBVQSG-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(BENZYLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H23N5O4Sc122719(122421(29)16891718(1016)31143017)252622(27)321320(28)2311156435715h310H21114H21H3(H2328)(H2429)
MFCD08670480
N((5((2(BENZYLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(benzylamino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328052
ZINC09328052
ZINC9328052
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