Vitas-M small molecule compound
1-(2-methyl-5-nitrophenyl)-3-prop-2-en-1-ylthiourea
Catalog ID
STK413990
SMILES [O-][N+](=O)c1cc(NC(=S)NCC=C)c(cc1)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 C11H13N3O2S MW 251.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3O2S/c1-3-6-12-11(17)13-10-7-9(14(15)16)5-4-8(10)2/h3-5,7H,1,6H2,2H3,(H2,12,13,17)InChIKey
IRUSGXYDGYQRGZ-UHFFFAOYSA-NSynonyms
((2METHYL5NITROPHENYL)AMINO)(PROP2ENYLAMINO)METHANE1THIONE
(O)(N+)(=O)c1cc(NC(=S)NCC=C)c(cc1)C
1(2methyl5nitrophenyl)3prop2en1ylthiourea
1(2METHYL5NITROPHENYL)3PROP2ENYLTHIOUREA
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=S)NCC=C
InChI=1SC11H13N3O2Sc1361211(17)131079(14(15)16)548(10)2h357H16H22H3(H2121317)
MFCD06756410
ZINC000005041347
ZINC05041347
ZINC5041347
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