Vitas-M small molecule compound
N-({4-ethyl-5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK121685
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1ccccc1C(C)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 C24H27N5O4S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4S/c1-4-29-21(12-25-23(31)16-9-10-19-20(11-16)33-14-32-19)27-28-24(29)34-13-22(30)26-18-8-6-5-7-17(18)15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,25,31)(H,26,30)InChIKey
SWAIWEYCNKQGTB-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC24H27N5O4Sc142921(122523(31)169101920(1116)33143219)272824(29)341322(30)2618865717(18)15(2)3h51115H41214H213H3(H2531)(H2630)
MFCD04091008
N((4ETHYL5((2(2ISOPROPYLANILINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ETHYL5((2OXO2((2(PROPAN2YL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ETHYL5(2OXO2(2PROPAN2YLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000000687533
ZINC00687533
ZINC687533
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