Vitas-M small molecule compound
N-(5-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide
Catalog ID
STK110217
SMILES O=C(Cc1nnc(s1)NC(=O)c1cccc(c1)C)N/N=C/c1ccc2c(c1)OCO2
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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 C20H17N5O4S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4S/c1-12-3-2-4-14(7-12)19(27)22-20-25-24-18(30-20)9-17(26)23-21-10-13-5-6-15-16(8-13)29-11-28-15/h2-8,10H,9,11H2,1H3,(H,23,26)(H,22,25,27)/b21-10+InChIKey
XKBORHGLVSYYJC-UFFVCSGVSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC4=C(C=C3)OCO4
InChI=1SC20H17N5O4Sc11232414(712)19(27)2220252418(3020)917(26)23211013561516(813)29112815h2810H911H21H3(H2326)(H222527)b2110+
MFCD00681907
N(5(2((2E)2(13BENZODIOXOL5YLMETHYLIDENE)HYDRAZINYL)2OXOETHYL)134THIADIAZOL2YL)3METHYLBENZAMIDE
N(5(2(2(13BENZODIOXOL5YLMETHYLENE)HYDRAZINO)2OXOETHYL)134THIADIAZOL2YL)3METHYLBENZAMIDE
O=C(Cc1nnc(s1)NC(=O)c1cccc(c1)C)NN=Cc1ccc2c(c1)OCO2
ZINC000000677161
ZINC33334120
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