Vitas-M small molecule compound
3',5'-di-tert-butyl-6-chloro-2-(4-nitrophenyl)-4H,4'H-spiro[1,4-benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Catalog ID
STK760694
SMILES Clc1ccc2c(c1)NC1(C(O2)c2ccc(cc2)[N+](=O)[O-])C=C(C(=O)C(=C1)C(C)(C)C)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 C27H29ClN2O4 MW 480.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O4/c1-25(2,3)19-14-27(15-20(23(19)31)26(4,5)6)24(16-7-10-18(11-8-16)30(32)33)34-22-12-9-17(28)13-21(22)29-27/h7-15,24,29H,1-6H3InChIKey
DDKCWRXQRICOEM-UHFFFAOYSA-NSynonyms
26DITERTBUTYL6CHLORO2(4NITROPHENYL)SPIRO(24DIHYDRO14BENZOXAZINE34CYCLOHEXA25DIENE)1ONE
35ditertbutyl6chloro2(4nitrophenyl)4H4Hspiro(14benzoxazine31cyclohexa(25)dien)4one
CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)C(OC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc2c(c1)NC1(C(O2)c2ccc(cc2)(N+)(=O)(O))C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
InChI=1SC27H29ClN2O4c125(23)191427(1520(23(19)31)26(45)6)24(1671018(11816)30(32)33)342212917(28)1321(22)2927h7152429H16H3
MFCD01819397
ZINC000003669372
ZINC000003669373
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