Vitas-M small molecule compound
4-(4-fluorophenyl)-N-(2-{[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]amino}-2-oxoethyl)piperazine-1-carboxamide
Catalog ID
STL161965
SMILES COCc1n[nH]/c(=N/C(=O)CNC(=O)N2CCN(CC2)c2ccc(cc2)F)/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 C17H21FN6O3S MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21FN6O3S/c1-27-11-15-21-22-16(28-15)20-14(25)10-19-17(26)24-8-6-23(7-9-24)13-4-2-12(18)3-5-13/h2-5H,6-11H2,1H3,(H,19,26)(H,20,22,25)InChIKey
XKRDWHLDOZAVAN-UHFFFAOYSA-NSynonyms
1246072-99-01246072990
4(4fluorophenyl)N(2(((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)amino)2oxoethyl)piperazine1carboxamide
4(4fluorophenyl)N(2((5(methoxymethyl)134thiadiazol2yl)amino)2oxoethyl)piperazine1carboxamide
COCC1=NN=C(S1)NC(=O)CNC(=O)N2CCN(CC2)C3=CC=C(C=C3)F
COCc1n(nH)c(=NC(=O)CNC(=O)N2CCN(CC2)c2ccc(cc2)F)s1
InChI=1SC17H21FN6O3Sc1271115212216(2815)2014(25)101917(26)248623(7924)134212(18)3513h25H611H21H3(H1926)(H202225)
MFCD20759530
ZINC000049549217
ZINC49549217
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