Vitas-M small molecule compound
4-(1,2-benzothiazol-3-yl)-N-{1-oxo-1-[(2E)-1,3,4-thiadiazol-2(3H)-ylideneamino]propan-2-yl}piperazine-1-carboxamide
Catalog ID
STL243647
SMILES O=C(C(NC(=O)N1CCN(CC1)c1nsc2c1cccc2)C)/N=c\1/scn[nH]1
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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 C17H19N7O2S2 MW 417.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N7O2S2/c1-11(15(25)20-16-21-18-10-27-16)19-17(26)24-8-6-23(7-9-24)14-12-4-2-3-5-13(12)28-22-14/h2-5,10-11H,6-9H2,1H3,(H,19,26)(H,20,21,25)InChIKey
KAJWZAWLKBGSEF-UHFFFAOYSA-NSynonyms
4(12benzothiazol3yl)N(1oxo1((2E)134thiadiazol2(3H)ylideneamino)propan2yl)piperazine1carboxamide
4(12benzothiazol3yl)N(1oxo1(134thiadiazol2ylamino)propan2yl)piperazine1carboxamide
CC(C(=O)NC1=NN=CS1)NC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC17H19N7O2S2c111(15(25)20162118102716)1917(26)248623(7924)1412423513(12)282214h251011H69H21H3(H1926)(H202125)
MFCD24859704
O=C(C(NC(=O)N1CCN(CC1)c1nsc2c1cccc2)C)N=c1scn(nH)1
ZINC000072403626
ZINC000095482714
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