Vitas-M small molecule compound
3-tert-butyl-7-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Catalog ID
STK772426
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nn2c(s1)nnc(c2=O)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 C16H15N5O4S2 MW 405.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O4S2/c1-16(2,3)12-13(23)20-14(18-17-12)27-15(19-20)26-8-11(22)9-5-4-6-10(7-9)21(24)25/h4-7H,8H2,1-3H3InChIKey
CGOKCUNQXVSNRF-UHFFFAOYSA-NSynonyms
3(TERTBUTYL)7(2(3NITROPHENYL)2OXOETHYLTHIO)134THIADIAZOLINO(23C)124TRIAZIN4ONE
3tertbutyl7((2(3nitrophenyl)2oxoethyl)sulfanyl)4H(134)thiadiazolo(23c)(124)triazin4one
3tertbutyl7(2(3nitrophenyl)2oxoethyl)sulfanyl(134)thiadiazolo(23c)(124)triazin4one
CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC16H15N5O4S2c116(23)1213(23)2014(181712)2715(1920)26811(22)954610(79)21(24)25h47H8H213H3
MFCD02660197
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nn2c(s1)nnc(c2=O)C(C)(C)C
ZINC000011025960
ZINC11025960
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