Vitas-M small molecule compound
5-(4-tert-butylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3,4-thiadiazol-2(3H)-iminium
Catalog ID
STK057794
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Cn1nc(sc1=[NH2+])c1ccc(cc1)C(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 C20H21N4O3S MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-20(2,3)15-9-7-13(8-10-15)18-22-23(19(21)28-18)12-17(25)14-5-4-6-16(11-14)24(26)27/h4-11,21H,12H2,1-3H3/p+1InChIKey
XAPUKHNUGQSDEQ-UHFFFAOYSA-OSynonyms
2(2AMINO5(4TERTBUTYLPHENYL)134THIADIAZOL3IUM3YL)1(3NITROPHENYL)ETHANONE
5(4TERTBUTYLPHENYL)3(2(3NITROPHENYL)2OXOETHYL)134THIADIAZOL2(3H)IMINIUM
CC(C)(C)C1=CC=C(C=C1)C2=N(N+)(=C(S2)N)CC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H20N4O3Sc120(23)159713(81015)182223(19(21)2818)1217(25)1454616(1114)24(26)27h41121H12H213H3p+1
MFCD08679061
O=C(c1cccc(c1)(N+)(=O)(O))Cn1nc(sc1=(NH2+))c1ccc(cc1)C(C)(C)C
STK057794
ZINC000013896083
ZINC06023031
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