Vitas-M small molecule compound
3,5-dimethyl-4-[(2S,3S,4R)-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole
Catalog ID
STK786458
SMILES [O-][N+](=O)[C@H]1[C@@H](c2ccccc2O[C@@H]1C(Cl)(Cl)Cl)c1c(C)[nH]nc1C
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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 C15H14Cl3N3O3 MW 390.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14Cl3N3O3/c1-7-11(8(2)20-19-7)12-9-5-3-4-6-10(9)24-14(15(16,17)18)13(12)21(22)23/h3-6,12-14H,1-2H3,(H,19,20)/t12-,13-,14-/m0/s1InChIKey
ZKGPNAAQFFQKFI-IHRRRGAJSA-NSynonyms
(2S3S4R)4(35DIMETHYLPYRAZOL4YL)3NITRO2(TRICHLOROMETHYL)CHROMANE
(O)(N+)(=O)(C@H)1(C@@H)(c2ccccc2O(C@@H)1C(Cl)(Cl)Cl)c1c(C)(nH)nc1C
35dimethyl4((2S3S4R)3nitro2(trichloromethyl)34dihydro2Hchromen4yl)1Hpyrazole
CC1=C(C(=NN1)C)C2C(C(OC3=CC=CC=C23)C(Cl)(Cl)Cl)(N+)(=O)(O)
InChI=1SC15H14Cl3N3O3c1711(8(2)20197)129534610(9)2414(15(1617)18)13(12)21(22)23h361214H12H3(H1920)t121314m0s1
MFCD13372247
ZINC000012372243
ZINC12372243
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