Vitas-M small molecule compound

5-(5-nitrothiophen-2-yl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK057699
SMILES [O-][N+](=O)c1ccc(s1)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1

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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 C20H15N3O3S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O3S/c24-23(25)19-11-10-18(27-19)20-22-16(14-8-4-5-9-17(14)26-20)12-15(21-22)13-6-2-1-3-7-13/h1-11,16,20H,12H2
InChIKey
MRNCMPNIQHLSNF-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(s1)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1
2NITRO5(9PHENYL(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL))THIOPHENE
4(5NITROTHIOPHEN2YL)2PHENYL19B(4H)DIHYDRO5OXA33ADIAZACYCLOPENTA(A)NAPHTHALENE
5(5NITRO2THIENYL)2PHENYL110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE
5(5NITROTHIOPHEN2YL)2PHENYL110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE
5(5nitrothiophen2yl)2phenyl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CC=C4)C5=CC=C(S5)(N+)(=O)(O)
InChI=1SC20H15N3O3Sc2423(25)19111018(2719)202216(14845917(14)2620)1215(2122)136213713h1111620H12H2
MFCD01972640
STK057699
ZINC000000670859
ZINC000011917824

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Available files

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