Vitas-M small molecule compound

hydrogen (1-hydroxy-3-{4-methyl-2-[(4-nitrophenyl)amino]-1,3-thiazol-3-ium-3-yl}-1-phosphonopropyl)phosphonate

Catalog ID
STL149705
SMILES Cc1csc([n+]1CCC(P(=O)(O)O)(P(=O)(O)[O-])O)Nc1ccc(cc1)[N+](=O)[O-]

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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 C13H17N3O9P2S MW 453.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O9P2S/c1-9-8-28-12(14-10-2-4-11(5-3-10)16(18)19)15(9)7-6-13(17,26(20,21)22)27(23,24)25/h2-5,8,17H,6-7H2,1H3,(H4,20,21,22,23,24,25)
InChIKey
IQEVLWNEEWOXDQ-UHFFFAOYSA-N
Synonyms

CC1=CSC(=(N+)1CCC(O)(P(=O)(O)O)P(=O)(O)(O))NC2=CC=C(C=C2)(N+)(=O)(O)
Cc1csc((n+)1CCC(P(=O)(O)O)(P(=O)(O)(O))O)Nc1ccc(cc1)(N+)(=O)(O)
Cc1csc((n+)1CCC(P(=O)(O)O)(P(=O)(O)(O))O)Nc1ccc(cc1)(N+)(=O)(O)OO
hydrogen(1hydroxy3(4methyl2((4nitrophenyl)amino)13thiazol3ium3yl)1phosphonopropyl)phosphonate
hydrogen(1hydroxy3(4methyl2((4nitrophenyl)amino)thiazol3ium3yl)1phosphonopropyl)phosphonatedihydrate
HYDROXY(1HYDROXY3(4METHYL2(4NITROANILINO)13THIAZOL3IUM3YL)1PHOSPHONOPROPYL)PHOSPHINATE
InChI=1SC13H17N3O9P2Sc1982812(14102411(5310)16(18)19)15(9)7613(1726(2021)22)27(2324)25h25817H67H21H3(H4202122232425)
MFCD01088947
ZINC000009183423

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Available files

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