Vitas-M small molecule compound
(3Z)-3-[(2S,3S,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-4-hydroxypent-3-en-2-one
Catalog ID
STK689675
SMILES Brc1ccc2c(c1)[C@@H](/C(=C(/O)\C)/C(=O)C)[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 C15H13BrCl3NO5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrCl3NO5/c1-6(21)11(7(2)22)12-9-5-8(16)3-4-10(9)25-14(15(17,18)19)13(12)20(23)24/h3-5,12-14,21H,1-2H3/b11-6+/t12-,13-,14-/m0/s1InChIKey
PDOMCSKRLYLTKS-HAAZFRHNSA-NSynonyms
(3Z)3((2S3S4S)6bromo3nitro2(trichloromethyl)34dihydro2Hchromen4yl)4hydroxypent3en2one
(Z)3((2S3S4S)6bromo3nitro2(trichloromethyl)34dihydro2Hchromen4yl)4hydroxypent3en2one
Brc1ccc2c(c1)(C@@H)(C(=C(O)C)C(=O)C)(C@@H)((C@H)(O2)C(Cl)(Cl)Cl)(N+)(=O)(O)
CC(=C(C1C(C(OC2=C1C=C(C=C2)Br)C(Cl)(Cl)Cl)(N+)(=O)(O))C(=O)C)O
InChI=1SC15H13BrCl3NO5c16(21)11(7(2)22)12958(16)3410(9)2514(15(1718)19)13(12)20(23)24h35121421H12H3b116+t121314m0s1
MFCD18246985
ZINC000012362087
ZINC12362087
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