Vitas-M small molecule compound
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Catalog ID
STK216048
SMILES C=CCn1c2ccccc2c2c1nc(nn2)SC(C(=O)Nc1nnc(s1)C(C)C)CC
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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 C21H23N7OS2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7OS2/c1-5-11-28-14-10-8-7-9-13(14)16-17(28)22-20(26-24-16)30-15(6-2)18(29)23-21-27-25-19(31-21)12(3)4/h5,7-10,12,15H,1,6,11H2,2-4H3,(H,23,27,29)InChIKey
HKERDHOGNOALBA-UHFFFAOYSA-NSynonyms
667408-58-4667408584
CCC(C(=O)NC1=NN=C(S1)C(C)C)SC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2
InChI=1SC21H23N7OS2c151128141087913(14)1617(28)2220(262416)3015(62)18(29)2321272519(3121)12(3)4h57101215H1611H224H3(H232729)
MFCD02632233
N(5(PROPAN2YL)134THIADIAZOL2YL)2((5(PROP2EN1YL)5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTANAMIDE
N(5PROPAN2YL134THIADIAZOL2YL)2((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTANAMIDE
ZINC000002746302
ZINC000002746303
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