Vitas-M small molecule compound

(4S)-6-amino-3-tert-butyl-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK757044
SMILES N#CC1=C(N)Oc2c([C@H]1c1ccccc1[N+](=O)[O-])c(n[nH]2)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 C17H17N5O3 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3/c1-17(2,3)14-13-12(9-6-4-5-7-11(9)22(23)24)10(8-18)15(19)25-16(13)21-20-14/h4-7,12H,19H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKey
LMVLTKOYCJFJGR-LBPRGKRZSA-N
Synonyms
294634-98-3
(4S)6AMINO3(TERTBUTYL)4(2NITROPHENYL)4HPYRANO(23C)PYRAZOLE5CARBONITRILE
(4S)6amino3tertbutyl4(2nitrophenyl)14dihydropyrano(23c)pyrazole5carbonitrile
(4S)6AMINO3TERTBUTYL4(2NITROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
(R)6amino3(tertbutyl)4(2nitrophenyl)14dihydropyrano(23c)pyrazole5carbonitrile
294634983
6AMINO3TERTBUTYL4(2NITROPHENYL)14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H17N5O3c117(23)141312(9645711(9)22(23)24)10(818)15(19)2516(13)212014h4712H19H213H3(H2021)t12m0s1
MFCD13372093
N#CC1=C(N)Oc2c((C@H)1c1ccccc1(N+)(=O)(O))c(n(nH)2)C(C)(C)C
ZINC000004597221
ZINC04597221
ZINC4597221

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Available files

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