Vitas-M small molecule compound
N-(2,4-dimethyl-6-nitrophenyl)-2-(4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamide
Catalog ID
STK784176
SMILES Cc1cc(C)c(c(c1)[N+](=O)[O-])NC(=O)Cn1nnc2c(c1=O)c1CCCCCCc1s2
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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-12-9-13(2)19(15(10-12)26(29)30)22-17(27)11-25-21(28)18-14-7-5-3-4-6-8-16(14)31-20(18)23-24-25/h9-10H,3-8,11H2,1-2H3,(H,22,27)InChIKey
ADINMLSIFKIJFO-UHFFFAOYSA-NSynonyms
895850-41-6895850416
CC1=CC(=C(C(=C1)(N+)(=O)(O))NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CCCCCC4)C
Cc1cc(C)c(c(c1)(N+)(=O)(O))NC(=O)Cn1nnc2c(c1=O)c1CCCCCCc1s2
InChI=1SC21H23N5O4Sc112913(2)19(15(1012)26(29)30)2217(27)112521(28)181475346816(14)3120(18)232425h910H3811H212H3(H2227)
MFCD06775748
N(24dimethyl6nitrophenyl)2(4oxo5678910hexahydrocycloocta(23)thieno(24b)triazin3yl)acetamide
N(24dimethyl6nitrophenyl)2(4oxo5678910hexahydrocycloocta(45)thieno(23d)(123)triazin3(4H)yl)acetamide
ZINC000008742958
ZINC08742958
ZINC8742958
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