Vitas-M small molecule compound
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK251291
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)N1CCc2c1cccc2
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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 C23H23N5O4S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4S/c1-2-27-20(12-24-22(30)16-7-8-18-19(11-16)32-14-31-18)25-26-23(27)33-13-21(29)28-10-9-15-5-3-4-6-17(15)28/h3-8,11H,2,9-10,12-14H2,1H3,(H,24,30)InChIKey
KSSGLLJCUNVYGM-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(2(23DIHYDROINDOL1YL)2OXOETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)CNC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC23H23N5O4Sc122720(122422(30)16781819(1116)32143118)252623(27)331321(29)2810915534617(15)28h3811H29101214H21H3(H2430)
MFCD08670478
N((5((2(23DIHYDRO1HINDOL1YL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(23dihydroindol1yl)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009699132
ZINC09699132
ZINC9699132
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