Vitas-M small molecule compound
2-(benzylamino)-N-[(2E)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-thiazole-4-carboxamide
Catalog ID
STL162776
SMILES COc1ccc(cc1)Cc1n[nH]/c(=N\C(=O)c2csc(n2)NCc2ccccc2)/s1
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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 C21H19N5O2S2 MW 437.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2S2/c1-28-16-9-7-14(8-10-16)11-18-25-26-21(30-18)24-19(27)17-13-29-20(23-17)22-12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,23)(H,24,26,27)InChIKey
FKMKVGHUFDOCFO-UHFFFAOYSA-NSynonyms
1246068-44-91246068449
2(benzylamino)N((2E)5(4methoxybenzyl)134thiadiazol2(3H)ylidene)13thiazole4carboxamide
2(benzylamino)N(5((4methoxyphenyl)methyl)134thiadiazol2yl)13thiazole4carboxamide
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CSC(=N3)NCC4=CC=CC=C4
COc1ccc(cc1)Cc1n(nH)c(=NC(=O)c2csc(n2)NCc2ccccc2)s1
InChI=1SC21H19N5O2S2c128169714(81016)1118252621(3018)2419(27)17132920(2317)2212155324615h21013H1112H21H3(H2223)(H242627)
MFCD20759811
ZINC000049550852
ZINC49550852
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