Vitas-M small molecule compound

5-(3-nitrophenyl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

Catalog ID
STL031948
SMILES [O-][N+](=O)c1cccc(c1)C1CC(=O)n2c(S1)nc(n2)C12CC3CC(C2)CC(C1)C3

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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c26-18-8-17(15-2-1-3-16(7-15)25(27)28)29-20-22-19(23-24(18)20)21-9-12-4-13(10-21)6-14(5-12)11-21/h1-3,7,12-14,17H,4-6,8-11H2
InChIKey
DCASQZIHOBRWCX-UHFFFAOYSA-N
Synonyms
433328-76-8
(O)(N+)(=O)c1cccc(c1)C1CC(=O)n2c(S1)nc(n2)C12CC3CC(C2)CC(C1)C3
2((3r5r7r)adamantan1yl)5(3nitrophenyl)5H(124)triazolo(51b)(13)thiazin7(6H)one
2(1ADAMANTYL)5(3NITROPHENYL)56DIHYDRO(124)TRIAZOLO(51B)(13)THIAZIN7ONE
2ADAMANTANYL5(3NITROPHENYL)5H6H124TRIAZOLO(51B)13THIAZAPERHYDROIN7ONE
433328768
5(3nitrophenyl)2(tricyclo(3311~37~)dec1yl)56dihydro7H(124)triazolo(51b)(13)thiazin7one
C1C2CC3CC1CC(C2)(C3)C4=NN5C(=O)CC(SC5=N4)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC21H22N4O3Sc2618817(1521316(715)25(27)28)29202219(2324(18)20)21912413(1021)614(512)1121h137121417H46811H2
MFCD03134480
ZINC000004834141
ZINC000004834142

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Available files

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