Vitas-M small molecule compound
N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Catalog ID
STK236617
SMILES CCc1nnc2n1nc(s2)c1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C22H21N7O3S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O3S/c1-2-19-24-25-22-28(19)26-21(33-22)14-5-8-16(9-6-14)23-20(30)15-7-10-17(18(13-15)29(31)32)27-11-3-4-12-27/h5-10,13H,2-4,11-12H2,1H3,(H,23,30)InChIKey
MKMZKBXMAHIPNA-UHFFFAOYSA-NSynonyms
CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)(N+)(=O)(O)
CCc1nnc2n1nc(s2)c1ccc(cc1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
InChI=1SC22H21N7O3Sc121924252228(19)2621(3322)145816(9614)2320(30)1571017(18(1315)29(31)32)2711341227h51013H241112H21H3(H2330)
MFCD05809921
N(4(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)3nitro4(pyrrolidin1yl)benzamide
N(4(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYL)3NITRO4PYRROLIDIN1YLBENZAMIDE
ZINC000009190275
ZINC09190275
ZINC9190275
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