Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-N-(3-methylphenyl)acetamide
Catalog ID
STK251419
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1CC(=O)Nc1cccc(c1)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-3-27-19(11-20(28)23-15-6-4-5-14(2)9-15)25-26-22(27)32-12-21(29)24-16-7-8-17-18(10-16)31-13-30-17/h4-10H,3,11-13H2,1-2H3,(H,23,28)(H,24,29)InChIKey
BQPMFDKQFCFGJR-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(3METHYLPHENYL)ACETAMIDE
2(5(2(13benzodioxol5ylamino)2oxoethyl)sulfanyl4ethyl124triazol3yl)N(3methylphenyl)acetamide
2(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)NMTOLYLACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC(=C4)C
InChI=1SC22H23N5O4Sc132719(1120(28)231564514(2)915)252622(27)321221(29)2416781718(1016)31133017h410H31113H212H3(H2328)(H2429)
MFCD08670850
ZINC000009699385
ZINC09699385
ZINC9699385
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