Vitas-M small molecule compound
N-(2-methyl-1-{4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK246107
SMILES O=C(c1ccc2c(c1)OCO2)NC(c1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-])C(C)C
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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 C22H23N5O5S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5S/c1-13(2)19(23-21(28)15-6-9-17-18(10-15)32-12-31-17)20-24-25-22(26(20)3)33-11-14-4-7-16(8-5-14)27(29)30/h4-10,13,19H,11-12H2,1-3H3,(H,23,28)InChIKey
XZMWAXIUQVXZSB-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(2METHYL1(4METHYL5(4NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)PROPYL)AMIDE
CC(C)C(C1=NN=C(N1C)SCC2=CC=C(C=C2)(N+)(=O)(O))NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H23N5O5Sc113(2)19(2321(28)15691718(1015)32123117)20242522(26(20)3)3311144716(8514)27(29)30h4101319H1112H213H3(H2328)
MFCD08683290
N(2methyl1(4methyl5((4nitrobenzyl)sulfanyl)4H124triazol3yl)propyl)13benzodioxole5carboxamide
N(2methyl1(4methyl5((4nitrophenyl)methylsulfanyl)124triazol3yl)propyl)13benzodioxole5carboxamide
O=C(c1ccc2c(c1)OCO2)NC(c1nnc(n1C)SCc1ccc(cc1)(N+)(=O)(O))C(C)C
ZINC000009328792
ZINC000009328794
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