Vitas-M small molecule compound
4-[(2S,3S,4R)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-3,5-dimethyl-1H-pyrazole
Catalog ID
STK786459
SMILES Brc1ccc2c(c1)[C@@H](c1c(C)n[nH]c1C)[C@@H]([C@H](O2)C(Cl)(Cl)Cl)[N+](=O)[O-]
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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 C15H13BrCl3N3O3 MW 469.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrCl3N3O3/c1-6-11(7(2)21-20-6)12-9-5-8(16)3-4-10(9)25-14(15(17,18)19)13(12)22(23)24/h3-5,12-14H,1-2H3,(H,20,21)/t12-,13-,14-/m0/s1InChIKey
JRZVEZYANBADJF-IHRRRGAJSA-NSynonyms
4((2S3S4R)6bromo3nitro2(trichloromethyl)34dihydro2Hchromen4yl)35dimethyl1Hpyrazole
Brc1ccc2c(c1)(C@@H)(c1c(C)n(nH)c1C)(C@@H)((C@H)(O2)C(Cl)(Cl)Cl)(N+)(=O)(O)
CC1=C(C(=NN1)C)C2C(C(OC3=C2C=C(C=C3)Br)C(Cl)(Cl)Cl)(N+)(=O)(O)
InChI=1SC15H13BrCl3N3O3c1611(7(2)21206)12958(16)3410(9)2514(15(1718)19)13(12)22(23)24h351214H12H3(H2021)t121314m0s1
MFCD13372248
ZINC000012372242
ZINC12372242
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