Vitas-M small molecule compound
2,4-dichloro-N-[2-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
Catalog ID
STK690928
SMILES COc1cc(CCNC2=C(C(=O)CC(C2)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccc(cc2Cl)Cl)ccc1OC
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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 C28H28Cl2F6N2O4 MW 641.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28Cl2F6N2O4/c1-25(2)13-19(37-10-9-15-5-8-21(41-3)22(11-15)42-4)23(20(39)14-25)26(27(31,32)33,28(34,35)36)38-24(40)17-7-6-16(29)12-18(17)30/h5-8,11-12,37H,9-10,13-14H2,1-4H3,(H,38,40)InChIKey
WHEQUEMXPSMZFV-UHFFFAOYSA-NSynonyms
24dichloroN(2(2((2(34dimethoxyphenyl)ethyl)amino)44dimethyl6oxocyclohex1en1yl)111333hexafluoropropan2yl)benzamide
24dichloroN(2(2(2(34dimethoxyphenyl)ethylamino)44dimethyl6oxocyclohexen1yl)111333hexafluoropropan2yl)benzamide
CC1(CC(=C(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)Cl)NCCC3=CC(=C(C=C3)OC)OC)C
InChI=1SC28H28Cl2F6N2O4c125(2)1319(37109155821(413)22(1115)424)23(20(39)1425)26(27(3132)3328(3435)36)3824(40)177616(29)1218(17)30h58111237H9101314H214H3(H3840)
MFCD09064106
ZINC000150395041
ZINC150395041
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